Geometry & MOs

Info

ID:	9910
PubChem CID:	94613
Reduced:	N2O2C27H32 (1)
Stoich.:	A2B2C27D32 (1)
Weight, g/mol:	416.246378
ΔH_f, kcal/mol:	-40.61
Dipole, Da:	3.05
IP(EA), eV:	-7.92(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3-trimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole;acetate

Drug info:

PubChemData

Smile

CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C

DOS

IR

Vibrations