Geometry & MOs

Info

ID:	69536
PubChem CID:	47193713
Reduced:	ClON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	294.059362
ΔH_f, kcal/mol:	-63.07
Dipole, Da:	2.51
IP(EA), eV:	-8.58(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-4-methylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(C)C(=O)NC2=C(C=C(C=C2)C)Cl

DOS

IR

Vibrations