Geometry & MOs

Info

ID:	281328
PubChem CID:	103913711
Reduced:	NF2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	256.193949
ΔH_f, kcal/mol:	-159.07
Dipole, Da:	6.7
IP(EA), eV:	-10.05(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-cyclopentylpropylamino)ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1)C#N)NCC(C(F)F)(F)F

DOS

IR

Vibrations