Geometry & MOs

Info

ID:	69535
PubChem CID:	47193712
Reduced:	ClON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	294.149891
ΔH_f, kcal/mol:	-60.88
Dipole, Da:	2.23
IP(EA), eV:	-8.57(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)N(C)C2CCCCCC2)Cl

DOS

IR

Vibrations