Geometry & MOs

Info

ID:	65790
PubChem CID:	46386874
Reduced:	F3N3O4H20C22 (1)
Stoich.:	A3B3C4D20E22 (1)
Weight, g/mol:	441.0688
ΔH_f, kcal/mol:	-280.54
Dipole, Da:	4.44
IP(EA), eV:	-9.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations