Geometry & MOs

Info

ID:	69531
PubChem CID:	47193708
Reduced:	BrClOSN2H12C13 (1)
Stoich.:	ABCDE2F12G13 (1)
Weight, g/mol:	280.134241
ΔH_f, kcal/mol:	-2.04
Dipole, Da:	1.27
IP(EA), eV:	-8.83(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-methylphenyl)-3-(3-methylcyclohexyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NCC2=CC=C(S2)Br)Cl

DOS

IR

Vibrations