Geometry & MOs

Info

ID:	320789
PubChem CID:	126663378
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	313.99161
ΔH_f, kcal/mol:	24.86
Dipole, Da:	3.15
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-2-iodobutanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C=CN2C)[N+](=O)[O-]

DOS

IR

Vibrations