Geometry & MOs

Info

ID:	85485
PubChem CID:	49875777
Reduced:	O3C19H24 (1)
Stoich.:	A3B19C24 (1)
Weight, g/mol:	310.125218
ΔH_f, kcal/mol:	-139.59
Dipole, Da:	7.06
IP(EA), eV:	-9.33(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-1-pyridin-3-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C(=O)O

DOS

IR

Vibrations