Geometry & MOs

Info

ID:	265635
PubChem CID:	103535151
Reduced:	ClN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-155.23
Dipole, Da:	8.37
IP(EA), eV:	-9.46(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1CCN(C1)CC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

DOS

IR

Vibrations