Geometry & MOs

Info

ID:	448845
PubChem CID:	135293993
Reduced:	INO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	406.87436
ΔH_f, kcal/mol:	-51.1
Dipole, Da:	2.37
IP(EA), eV:	-9.48(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl N-(4-iodo-2-methylphenyl)carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)I)C(=O)N2CCOCC2

DOS

IR

Vibrations