Geometry & MOs

Info

ID:

430710

PubChem CID:

135170776

Reduced:

O2N4H19C25 (2)

Stoich.:

A2B4C19D25 (2)

Weight, g/mol:

385.236542

ΔHf, kcal/mol:

92.23

Dipole, Da:

5.15

IP(EA), eV:

 -9.11(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CN1CC(C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3C5=CN=CC(=C5)C6=CC(=CN=C6)C7=NC8=CC=CC=C8C(=O)N7C9=CC(=CC=C9)OCC1=CC=CC=C1

DOS

IR

Vibrations