Geometry & MOs

Info

ID:	382797
PubChem CID:	134974147
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	308.188863
ΔH_f, kcal/mol:	-83.06
Dipole, Da:	4.34
IP(EA), eV:	-8.4(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,7R)-1,3,3-trimethyl-2,7-diphenyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H]4CCCN4

DOS

IR

Vibrations