Geometry & MOs

Info

ID:	373697
PubChem CID:	131318883
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	2.84
IP(EA), eV:	-8.46(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-[(3R)-piperidin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=C(N1)N2CCOCC2)N

DOS

IR

Vibrations