Geometry & MOs

Info

ID:	121336
PubChem CID:	50764077
Reduced:	ClON3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	455.184506
ΔH_f, kcal/mol:	43.9
Dipole, Da:	1.35
IP(EA), eV:	-8.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-benzyl-4-methyl-2-oxo-3H-1,5-benzodiazepin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC3=CC=CC=C3N=C2OC4=CC=CC=C4Cl

DOS

IR

Vibrations