Geometry & MOs

Info

ID:	168209
PubChem CID:	74937197
Reduced:	ON2F3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	439.155235
ΔH_f, kcal/mol:	-152.82
Dipole, Da:	4.63
IP(EA), eV:	-8.95(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-(5-phenylpyrazolidin-3-yl)-4-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)C5=CC=NC=C5.C(=O)C(F)(F)F

DOS

IR

Vibrations