Geometry & MOs

Info

ID:	79634
PubChem CID:	49829796
Reduced:	N2O7C20H24 (1)
Stoich.:	A2B7C20D24 (1)
Weight, g/mol:	407.165406
ΔH_f, kcal/mol:	-194.29
Dipole, Da:	8.67
IP(EA), eV:	-9.37(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)COC(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-])C

DOS

IR

Vibrations