Geometry & MOs

Info

ID:	284451
PubChem CID:	104046708
Reduced:	O3N4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-11.33
Dipole, Da:	5.26
IP(EA), eV:	-9.57(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetylphenyl)-3-(2-cyano-2-methylpropyl)urea

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C#N

DOS

IR

Vibrations