Geometry & MOs

Info

ID:	18313
PubChem CID:	539598
Reduced:	INO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	347.03823
ΔH_f, kcal/mol:	-75.46
Dipole, Da:	1.39
IP(EA), eV:	-9.11(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl N-(2-iodophenyl)carbamate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)NC1=CC=CC=C1I

DOS

IR

Vibrations