Geometry & MOs

Info

ID:	129335
PubChem CID:	51072293
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	181.085127
ΔH_f, kcal/mol:	-57.31
Dipole, Da:	8.12
IP(EA), eV:	-9.18(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1C2=C(CNCC2)C(=N1)C(=O)O

DOS

IR

Vibrations