Geometry & MOs

Info

ID:	142393
PubChem CID:	53028546
Reduced:	O4N5H21C25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	433.119319
ΔH_f, kcal/mol:	-12.32
Dipole, Da:	1.77
IP(EA), eV:	-8.49(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[4-(4-methoxyphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)N3C4=CC=CC=C4N=C(C3=N2)OC5=CC=CC=C5

DOS

IR

Vibrations