Geometry & MOs

Info

ID:	126296
PubChem CID:	50959046
Reduced:	N3O4C19H19 (1)
Stoich.:	A3B4C19D19 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-60.72
Dipole, Da:	1.64
IP(EA), eV:	-8.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(C2=NC(=NN2C3=CC4=C(C=C3)OCO4)C)O

DOS

IR

Vibrations