Geometry & MOs

Info

ID:	413390
PubChem CID:	135086339
Reduced:	ClNC8H9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	473.1314
ΔH_f, kcal/mol:	14.43
Dipole, Da:	3.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.063634
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(6-bromo-9-butylpyrido[3,4-b]indole-3-carbonyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(=[NH2+])C1=CC(=CC=C1)Cl

DOS

IR

Vibrations