Geometry & MOs

Info

ID:	374057
PubChem CID:	131323070
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	150.115698
ΔH_f, kcal/mol:	-121.47
Dipole, Da:	5.48
IP(EA), eV:	-9.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(piperidin-3-ylmethyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(=CC=CC(=O)O)C1CCOCC1

DOS

IR

Vibrations