Geometry & MOs

Info

ID:	10191
PubChem CID:	98731
Reduced:	ClN2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	258.07712
ΔH_f, kcal/mol:	-111.93
Dipole, Da:	7.34
IP(EA), eV:	-8.9(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)urea

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)NC(=O)NCCCl

DOS

IR

Vibrations