Geometry & MOs

Info

ID:	125485
PubChem CID:	50926094
Reduced:	FO2N5H18C21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	-2.8
Dipole, Da:	3.56
IP(EA), eV:	-9.12(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN3C=NN(C(=O)C3=C2)CC(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations