Geometry & MOs

Info

ID:	65777
PubChem CID:	46386860
Reduced:	FN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-124.25
Dipole, Da:	4.73
IP(EA), eV:	-9.21(-0.91)
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)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations