Geometry & MOs

Info

ID:	4489
PubChem CID:	11483
Reduced:	NCl2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	233.001034
ΔH_f, kcal/mol:	-89.13
Dipole, Da:	2.07
IP(EA), eV:	-9.35(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloroethyl N-(3-chlorophenyl)carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC(=O)OCCCl

DOS

IR

Vibrations