Geometry & MOs

Info

ID:	364374
PubChem CID:	127315551
Reduced:	NSO3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-166.35
Dipole, Da:	7.61
IP(EA), eV:	-9.56(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2H-indazol-3-yl)-1-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C(C)(C)S(=O)(=O)C)C

DOS

IR

Vibrations