Geometry & MOs

Info

ID:	15835
PubChem CID:	453305
Reduced:	O2N3H19C22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	357.147727
ΔH_f, kcal/mol:	26.76
Dipole, Da:	1.82
IP(EA), eV:	-8.45(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-benzoyl-11-ethyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)N(C(=O)C4=C1N=CC=C4)C

DOS

IR

Vibrations