Geometry & MOs

Info

ID:	138409
PubChem CID:	52362726
Reduced:	SO3N6H16C18 (1)
Stoich.:	AB3C6D16E18 (1)
Weight, g/mol:	290.165723
ΔH_f, kcal/mol:	84.21
Dipole, Da:	1.33
IP(EA), eV:	-9.12(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2,3-dihydro-1H-inden-1-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3CC3)C4=CC=NC=C4)[N+](=O)[O-]

DOS

IR

Vibrations