Geometry & MOs

Info

ID:	23261
PubChem CID:	602944
Reduced:	ClNO4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	257.045486
ΔH_f, kcal/mol:	-119.68
Dipole, Da:	6.08
IP(EA), eV:	-8.7(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxiran-2-ylmethyl N-(3-chloro-4-methoxyphenyl)carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)OCC2CO2)Cl

DOS

IR

Vibrations