Geometry & MOs

Info

ID:	65787
PubChem CID:	46386871
Reduced:	ClN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	431.145676
ΔH_f, kcal/mol:	-90.94
Dipole, Da:	2.71
IP(EA), eV:	-9.32(-0.54)
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-[4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations