Geometry & MOs

Info

ID:	350226
PubChem CID:	127277304
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-79.88
Dipole, Da:	6.03
IP(EA), eV:	-8.86(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN1C(=O)NCCN2C(=O)CC3=CC=CC=C32

DOS

IR

Vibrations