Geometry & MOs

Info

ID:	205756
PubChem CID:	80152841
Reduced:	N2C7H12 (2)
Stoich.:	A2B7C12 (2)
Weight, g/mol:	245.05105
ΔH_f, kcal/mol:	21.13
Dipole, Da:	0.95
IP(EA), eV:	-8.26(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(phenylsulfanylmethyl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)CC2=NC=C(C=C2)CN

DOS

IR

Vibrations