Geometry & MOs

Info

ID:	269875
PubChem CID:	103619525
Reduced:	IN2O2C9H11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	347.01307
ΔH_f, kcal/mol:	23.87
Dipole, Da:	10.02
IP(EA), eV:	-9.14(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-iodo-4-nitrophenyl)piperidin-1-amine

Drug info:

PubChemData

Smile

CCCNC1=CC(=C(C=C1)[N+](=O)[O-])I

DOS

IR

Vibrations