Geometry & MOs

Info

ID:	252340
PubChem CID:	103110672
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	25.14
Dipole, Da:	9.41
IP(EA), eV:	-8.79(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-amino-2-methylphenyl)methyl]-3-(3-cyanophenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations