Geometry & MOs

Info

ID:	229371
PubChem CID:	87567494
Reduced:	O2C12H23 (2)
Stoich.:	A2B12C23 (2)
Weight, g/mol:	510.193691
ΔH_f, kcal/mol:	-279.6
Dipole, Da:	0.14
IP(EA), eV:	-10.68(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzenesulfonate;2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide;hydrate

Drug info:

PubChemData

Smile

CCC(CC)COC(=O)CCCCCCCCCCC(=O)OCC(CC)CC

DOS

IR

Vibrations