Geometry & MOs

Info

ID:	190615
PubChem CID:	78032048
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	40.52
Dipole, Da:	2.65
IP(EA), eV:	-8.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CCCCN2C=CC=C(C2=S)OC)C3CNNN3

DOS

IR

Vibrations