Geometry & MOs

Info

ID:	69530
PubChem CID:	47193707
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	357.95422
ΔH_f, kcal/mol:	-33.1
Dipole, Da:	2.02
IP(EA), eV:	-8.65(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromothiophen-2-yl)methyl]-3-(2-chloro-4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1CC1CNC(=O)NC2=C(C=C(C=C2)C)Cl

DOS

IR

Vibrations