Geometry & MOs

Info

ID:	242543
PubChem CID:	97301957
Reduced:	NSO2C9H13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-39.24
Dipole, Da:	5.29
IP(EA), eV:	-8.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethoxyphenyl)methyl]pyridine

Drug info:

PubChemData

Smile

CO[C@@H](C[S@](=O)C)C1=CC=CC=N1

DOS

IR

Vibrations