Geometry & MOs

Info

ID:	441912
PubChem CID:	135246636
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	392.225249
ΔH_f, kcal/mol:	-20.3
Dipole, Da:	3.89
IP(EA), eV:	-9.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylphenyl)-2-[[6-(3-phenylpropyl)pyridin-3-yl]methyl]pyridine

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)OC2=CN=C(C=C2)CO

DOS

IR

Vibrations