Geometry & MOs

Info

ID:	62840
PubChem CID:	26737185
Reduced:	IO3N5H10C15 (1)
Stoich.:	AB3C5D10E15 (1)
Weight, g/mol:	393.03381
ΔH_f, kcal/mol:	89.63
Dipole, Da:	5.32
IP(EA), eV:	-9.47(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-iodophenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

DOS

IR

Vibrations