Geometry & MOs

Info

ID:	268378
PubChem CID:	103599169
Reduced:	NOH9C10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	340.122321
ΔH_f, kcal/mol:	11.24
Dipole, Da:	3.18
IP(EA), eV:	-9.37(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-nitrophenyl)-1-(3-phenylpyrrolidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=CC=C2)C(=O)C=CC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations