Geometry & MOs

Info

ID:	269874
PubChem CID:	103619521
Reduced:	IN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	305.98652
ΔH_f, kcal/mol:	17.96
Dipole, Da:	10.0
IP(EA), eV:	-9.13(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-4-nitro-N-propylaniline

Drug info:

PubChemData

Smile

CC(C)CNC1=CC(=C(C=C1)[N+](=O)[O-])I

DOS

IR

Vibrations