Geometry & MOs

Info

ID:	162869
PubChem CID:	57578149
Reduced:	NSC68H89 (1)
Stoich.:	ABC68D89 (1)
Weight, g/mol:	190.086804
ΔH_f, kcal/mol:	0.13
Dipole, Da:	1.2
IP(EA), eV:	-7.84(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(1-hydroperoxyethenyl)-2-methyl-3H-indol-1-ium

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CS5)C6=CC7=C(C=C6)C8=CC=CC=C8C7(CCCCCCCC)CCCCCCCC)CCCCCCCC

DOS

IR

Vibrations