Geometry & MOs

Info

ID:	318281
PubChem CID:	126650256
Reduced:	NSO4F8H13C22 (1)
Stoich.:	ABC4D8E13F22 (1)
Weight, g/mol:	197.080041
ΔH_f, kcal/mol:	-464.72
Dipole, Da:	7.67
IP(EA), eV:	-9.16(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=C(C1C3=C(C=C(C=C3)C(F)(F)F)N)C=CC(=C2)S(=O)(=O)OC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations