Geometry & MOs

Info

ID:	407348
PubChem CID:	135079895
Reduced:	ClNO3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	229.085127
ΔH_f, kcal/mol:	-130.32
Dipole, Da:	3.59
IP(EA), eV:	-9.13(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-cyano-3-(4-methylphenyl)-3-oxoprop-1-enyl]urea

Drug info:

PubChemData

Smile

CC(=O)N/C(=C\C=C\CCCCl)/C(=O)OC

DOS

IR

Vibrations