Geometry & MOs

Info

ID:	20246
PubChem CID:	582802
Reduced:	ON3H21C25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	379.168462
ΔH_f, kcal/mol:	58.68
Dipole, Da:	5.62
IP(EA), eV:	-8.28(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-ylmethyl)-7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)C(N=C2C3=CC=CC=C3)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations