Geometry & MOs

Info

ID:	120720
PubChem CID:	50742185
Reduced:	O5C16H20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	292.121178
ΔH_f, kcal/mol:	-190.33
Dipole, Da:	2.77
IP(EA), eV:	-9.68(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(2-oxopropylidene)-3-phenyl-1,5-dihydro-1,5-benzodiazepin-4-one

Drug info:

PubChemData

Smile

CC(C)(C=O)C(C1=CC=CC=C1)C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations