Geometry & MOs

Info

ID:	132225
PubChem CID:	51325174
Reduced:	ClON4H17C19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	280.137577
ΔH_f, kcal/mol:	61.65
Dipole, Da:	1.47
IP(EA), eV:	-9.52(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[(2-phenylpyrrolidin-1-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)/C=C/C2=CC=C(C=C2)Cl)CN3C=NC=N3

DOS

IR

Vibrations