Geometry & MOs

Info

ID:	167000
PubChem CID:	74764653
Reduced:	IN2C27H31 (1)
Stoich.:	AB2C27D31 (1)
Weight, g/mol:	608.244185
ΔH_f, kcal/mol:	104.82
Dipole, Da:	19.22
IP(EA), eV:	-6.17(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-1,1,3-trimethyl-2-[(2E)-7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;perchlorate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2[N+](=C1C=C/C=C/C=C\3/C(C4=CC=CC=C4N3C)(C)C)C)C.[I-]

DOS

IR

Vibrations