Geometry & MOs

Info

ID:	65781
PubChem CID:	46386864
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-92.18
Dipole, Da:	2.02
IP(EA), eV:	-8.81(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CN2C3=CC=CC=C3C(=O)N4CCCCC4C2=O

DOS

IR

Vibrations