Geometry & MOs

Info

ID:	120748
PubChem CID:	50742902
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	508.211055
ΔH_f, kcal/mol:	-28.1
Dipole, Da:	3.31
IP(EA), eV:	-8.6(-0.91)
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-(4-phenoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2=NN3C=CN(C(=O)C3=C2)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations