Geometry & MOs

Info

ID:	269870
PubChem CID:	103619508
Reduced:	IO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	303.97087
ΔH_f, kcal/mol:	68.98
Dipole, Da:	5.12
IP(EA), eV:	-9.44(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-4-nitro-N-prop-2-enylaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCCCN2C=CN=C2)I)[N+](=O)[O-]

DOS

IR

Vibrations