Geometry & MOs

Info

ID:	426307
PubChem CID:	135143306
Reduced:	ClN5H32C46 (1)
Stoich.:	AB5C32D46 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	236.33
Dipole, Da:	1.72
IP(EA), eV:	-8.36(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-N,3-dimethyl-4-oxoimidazolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC=C(C=C4)C5NC6=CC=CC(=C6N5C7=CC=CC=C7)C8=CC=CC=C8Cl)C9=CC=CC=C9

DOS

IR

Vibrations