Geometry & MOs

Info

ID:	21420
PubChem CID:	588173
Reduced:	OCl2N2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	308.048318
ΔH_f, kcal/mol:	-28.11
Dipole, Da:	3.49
IP(EA), eV:	-9.04(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-3-methylphenyl)-3-(3-chloro-2-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)NC2=C(C(=CC=C2)Cl)C)Cl

DOS

IR

Vibrations