Geometry & MOs

Info

ID:	29358
PubChem CID:	833333
Reduced:	INOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	333.98144
ΔH_f, kcal/mol:	-34.7
Dipole, Da:	3.59
IP(EA), eV:	-9.5(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(3-iodo-4-methylbenzoyl)amino]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)I

DOS

IR

Vibrations