Geometry & MOs

Info

ID:	65792
PubChem CID:	46386876
Reduced:	F3N3O3H22C23 (1)
Stoich.:	A3B3C3D22E23 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-243.13
Dipole, Da:	2.35
IP(EA), eV:	-9.5(-0.69)
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-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN2C(C1)C(=O)N(C3=CC=CC=C3C2=O)CC(=O)NCC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations