Geometry & MOs

Info

ID:	172665
PubChem CID:	75538336
Reduced:	ClON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	-12.22
Dipole, Da:	4.92
IP(EA), eV:	-9.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloroindazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CCN2C3=C(C=CC(=C3)Cl)C=N2

DOS

IR

Vibrations