Geometry & MOs

Info

ID:	276991
PubChem CID:	103826172
Reduced:	FSN3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	2.62
IP(EA), eV:	-8.68(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-methoxybenzonitrile

Drug info:

PubChemData

Smile

CSC1CCC(C1)NC2=NC=C(C=N2)F

DOS

IR

Vibrations