Geometry & MOs

Info

ID:

311624

PubChem CID:

126595703

Reduced:

N5H67C92 (1)

Stoich.:

A5B67C92 (1)

Weight, g/mol:

487.261711

ΔHf, kcal/mol:

373.59

Dipole, Da:

2.02

IP(EA), eV:

 -7.78(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-[8-[(3S)-3-acetamido-3-thiophen-3-ylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)/C=C/C3=CC(=CC(=C3)/C=C/C4=CC5=C(C=C4)N(C6=C5C=CC(=C6)C7=CC8=C(C=C7)C(=CC=C8)N9C2=CC=CC=C2C2=CC3=C(C=C29)C2=CC=CC=C2N3C2=CC=CC3=CC=CC=C32)CC)/C=C/C2=CC3=C(C=C2)N(C2=CC=CC=C23)CC)C2=CC=CC=C21

DOS

IR

Vibrations