Geometry & MOs

Info

ID:	69539
PubChem CID:	47193717
Reduced:	ClOSN3C14H16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	278.118591
ΔH_f, kcal/mol:	-18.8
Dipole, Da:	3.34
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NCCC2=CSC(=N2)C)Cl

DOS

IR

Vibrations