Geometry & MOs

Info

ID:	269873
PubChem CID:	103619520
Reduced:	IN2O4H13C14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	320.00217
ΔH_f, kcal/mol:	-10.21
Dipole, Da:	8.65
IP(EA), eV:	-8.56(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-N-(2-methylpropyl)-4-nitroaniline

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=CC(=C(C=C2)[N+](=O)[O-])I)OC

DOS

IR

Vibrations