Geometry & MOs

Info

ID:	9912
PubChem CID:	94642
Reduced:	N2C22H23 (1)
Stoich.:	A2B22C23 (1)
Weight, g/mol:	315.186124
ΔH_f, kcal/mol:	80.3
Dipole, Da:	3.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.994970
Charge, e:	1

Chem-info

IUPAC name:

1,3,3-trimethyl-2-[2-(2-methyl-3H-indol-3-yl)ethenyl]indol-1-ium

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C1C=CC3=[N+](C4=CC=CC=C4C3(C)C)C

DOS

IR

Vibrations