Geometry & MOs

Info

ID:	349862
PubChem CID:	127276254
Reduced:	OSN5C17H29 (1)
Stoich.:	ABC5D17E29 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-26.23
Dipole, Da:	2.45
IP(EA), eV:	-8.57(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-7-yl-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1SCC(=O)N2CCCC2CN3CCCCC3

DOS

IR

Vibrations