Geometry & MOs

Info

ID:	268343
PubChem CID:	103598993
Reduced:	FN3O4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	370.144119
ΔH_f, kcal/mol:	-102.15
Dipole, Da:	6.53
IP(EA), eV:	-9.48(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-nitrophenyl)-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations