Geometry & MOs

Info

ID:	190614
PubChem CID:	78032047
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	-45.56
Dipole, Da:	7.82
IP(EA), eV:	-9.75(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1-[5-(3-methylphenyl)-5-(triazolidin-4-yl)pentyl]pyridine-2-thione

Drug info:

PubChemData

Smile

CC(=CCC1CCC(=N1)C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations