Geometry & MOs

Info

ID:	7652
PubChem CID:	73654
Reduced:	N2O2C21H25 (1)
Stoich.:	A2B2C21D25 (1)
Weight, g/mol:	337.191603
ΔH_f, kcal/mol:	-19.09
Dipole, Da:	4.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.292290
Charge, e:	1

Chem-info

IUPAC name:

2,4-dimethoxy-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2[N+](=C1C=CNC3=C(C=C(C=C3)OC)OC)C)C

DOS

IR

Vibrations