Geometry & MOs

Info

ID:	346360
PubChem CID:	127270864
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-45.89
Dipole, Da:	5.41
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCC(CC3)NS(=O)(=O)C4=CC=CC=C4)NN=C2

DOS

IR

Vibrations