Geometry & MOs

Info

ID:	253156
PubChem CID:	103116390
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	239.090606
ΔH_f, kcal/mol:	-19.76
Dipole, Da:	6.05
IP(EA), eV:	-9.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2C(=C(N=N2)C(=O)O)C3=NC=CN3C

DOS

IR

Vibrations