Geometry & MOs

Info

ID:	69538
PubChem CID:	47193715
Reduced:	ClO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	309.070261
ΔH_f, kcal/mol:	-72.41
Dipole, Da:	5.67
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-methylphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)N2CCNC(=O)C2)Cl

DOS

IR

Vibrations