Geometry & MOs

Info

ID:	166978
PubChem CID:	74760934
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	490.177168
ΔH_f, kcal/mol:	-71.56
Dipole, Da:	11.74
IP(EA), eV:	-8.8(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-N-benzyl-3-(4-chlorophenyl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)NC2=CC=CC(=C2)C#N)C

DOS

IR

Vibrations