Geometry & MOs

Info

ID:	351482
PubChem CID:	127280370
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-75.56
Dipole, Da:	3.01
IP(EA), eV:	-8.28(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-methyl-1H-indazole-7-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CN=C1SCC(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations