Geometry & MOs

Info

ID:	125482
PubChem CID:	50926055
Reduced:	O3N5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-2.51
Dipole, Da:	3.34
IP(EA), eV:	-8.41(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN3C=NN(C(=O)C3=C2)CC(=O)NC4=CC=C(C=C4)OCC

DOS

IR

Vibrations