Geometry & MOs

Info

ID:

316725

PubChem CID:

126631650

Reduced:

N3H21C31 (3)

Stoich.:

A3B21C31 (3)

Weight, g/mol:

284.173607

ΔHf, kcal/mol:

480.44

Dipole, Da:

2.13

IP(EA), eV:

 -7.73(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-O-methyl 1-O-(2-methylpentan-2-yl) (2R)-4-iminopiperidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC(=C5)C6=NC(=NC(=N6)C7=CC(=CC=C7)N(C8=CC=CC=C8)C9=CC1=C(C=C9)N(C3=CC=CC=C31)C1=CC=CC=C1)C1=CC(=CC=C1)N(C1=CC=CC=C1)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations