Geometry & MOs

Info

ID:	202609
PubChem CID:	79698509
Reduced:	ClO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	215.142248
ΔH_f, kcal/mol:	-69.17
Dipole, Da:	1.65
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(piperidin-4-ylmethylamino)benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2(CCC2)O)Cl

DOS

IR

Vibrations