Geometry & MOs

Info

ID:	65796
PubChem CID:	46386880
Reduced:	O3N4C28H28 (1)
Stoich.:	A3B4C28D28 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-50.52
Dipole, Da:	5.16
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2C(C1)C(=O)N(C3=CC=CC=C3C2=O)CC(=O)NC4=CC=CC=C4CCC5=CC=NC=C5

DOS

IR

Vibrations