Geometry & MOs

Info

ID:	69571
PubChem CID:	47193751
Reduced:	ION2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	371.96987
ΔH_f, kcal/mol:	9.76
Dipole, Da:	5.57
IP(EA), eV:	-8.79(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)C(=O)NC2=CC=C(C=C2)I

DOS

IR

Vibrations