Geometry & MOs

Info

ID:	65791
PubChem CID:	46386875
Reduced:	BrN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	445.161326
ΔH_f, kcal/mol:	-67.96
Dipole, Da:	3.72
IP(EA), eV:	-9.17(-0.89)
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-(trifluoromethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN2C(C1)C(=O)N(C3=CC=CC=C3C2=O)CC(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations