Geometry & MOs

Info

ID:	293942
PubChem CID:	117418329
Reduced:	ClNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	265.061804
ΔH_f, kcal/mol:	-74.02
Dipole, Da:	4.15
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chloro-2H-indazol-4-yl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1C3(CCC3)N=C=O)Cl)OCO2

DOS

IR

Vibrations