Geometry & MOs

Info

ID:	276460
PubChem CID:	103823416
Reduced:	FON2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	247.148476
ΔH_f, kcal/mol:	-15.18
Dipole, Da:	3.23
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNCC2=C(C=C(C=C2)C#N)F

DOS

IR

Vibrations