Geometry & MOs

Info

ID:	73738
PubChem CID:	48420210
Reduced:	SN4O4C12H12 (1)
Stoich.:	AB4C4D12E12 (1)
Weight, g/mol:	359.138225
ΔH_f, kcal/mol:	-6.99
Dipole, Da:	10.48
IP(EA), eV:	-9.45(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 1,3-diphenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OCCN2C=NC=N2

DOS

IR

Vibrations