Geometry & MOs

Info

ID:	132226
PubChem CID:	51325336
Reduced:	FN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	280.137577
ΔH_f, kcal/mol:	29.29
Dipole, Da:	4.32
IP(EA), eV:	-9.0(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=C(C=CC(=C2)C#N)F)C3=CC=CC=C3

DOS

IR

Vibrations