Geometry & MOs

Info

ID:	65795
PubChem CID:	46386879
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	468.216141
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	3.79
IP(EA), eV:	-8.85(-0.7)
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-[2-(2-pyridin-4-ylethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3C(=O)N4CCCCC4C2=O

DOS

IR

Vibrations