Geometry & MOs

Info

ID:	344383
PubChem CID:	127267559
Reduced:	FON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-54.63
Dipole, Da:	7.42
IP(EA), eV:	-8.99(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)CC1CN(C1)C(=O)NC2=CC(=CC=C2)F

DOS

IR

Vibrations