Geometry & MOs

Info

ID:	220495
PubChem CID:	85195570
Reduced:	ClNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-33.97
Dipole, Da:	2.12
IP(EA), eV:	-8.85(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-4-phenylpiperidin-1-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1OC)C(=NO)Cl

DOS

IR

Vibrations