Geometry & MOs

Info

ID:	178924
PubChem CID:	76401962
Reduced:	SN3O3C15H25 (1)
Stoich.:	AB3C3D15E25 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-152.55
Dipole, Da:	4.75
IP(EA), eV:	-8.84(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(4-pentylphenyl)acetamide

Drug info:

PubChemData

Smile

CCSC1CCCCN(C1)C(=O)CN2CCC(=O)N(C2=O)C

DOS

IR

Vibrations