Geometry & MOs

Info

ID:	280134
PubChem CID:	103847109
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	15.78
Dipole, Da:	1.75
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(methoxymethyl)piperidin-1-yl]-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

COCC1CCCN(C1)C2=C(C=CN=C2)C#N

DOS

IR

Vibrations