Geometry & MOs

Info

ID:	67732
PubChem CID:	46507057
Reduced:	SN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	7.45
IP(EA), eV:	-9.07(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)S(=O)(=O)CC2=NC(=NO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations