Geometry & MOs

Info

ID:	174750
PubChem CID:	75809775
Reduced:	FN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-25.47
Dipole, Da:	8.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.065551
Charge, e:	2

Chem-info

IUPAC name:

1-(1H-imidazol-1-ium-2-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC1=C(C=C(C=C1)[N+](=O)[O-])F)C2=CC(=CC=C2)OC

DOS

IR

Vibrations