Geometry & MOs

Info

ID:	65774
PubChem CID:	46386856
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	455.08445
ΔH_f, kcal/mol:	-4.76
Dipole, Da:	2.98
IP(EA), eV:	-8.95(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=NC(=NC=C2C(=O)N(C1=O)CCN(C)C)C3=CC=NC=C3

DOS

IR

Vibrations