Geometry & MOs

Info

ID:	120747
PubChem CID:	50742901
Reduced:	O2F3N3H14C18 (1)
Stoich.:	A2B3C3D14E18 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-138.89
Dipole, Da:	4.96
IP(EA), eV:	-9.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations