Geometry & MOs

Info

ID:	19717
PubChem CID:	571253
Reduced:	SN3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	255.083019
ΔH_f, kcal/mol:	79.52
Dipole, Da:	4.59
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSC2=NC3=C(N2)C=CC=N3

DOS

IR

Vibrations