Geometry & MOs

Info

ID:	277536
PubChem CID:	103829265
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-37.72
Dipole, Da:	8.71
IP(EA), eV:	-9.31(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)CC2=CC(=C(C=C2)OC)C#N

DOS

IR

Vibrations