Geometry & MOs

Info

ID:	4192
PubChem CID:	10944
Reduced:	NCl3O3C5H8 (1)
Stoich.:	AB3C3D5E8 (1)
Weight, g/mol:	234.956976
ΔH_f, kcal/mol:	-169.16
Dipole, Da:	3.05
IP(EA), eV:	-10.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NC(C(Cl)(Cl)Cl)O

DOS

IR

Vibrations