Geometry & MOs

Info

ID:	180531
PubChem CID:	76649075
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	585.303652
ΔH_f, kcal/mol:	-96.96
Dipole, Da:	2.36
IP(EA), eV:	-8.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-[2-chloro-3-[2-(1,1,3-trimethyl-4,5-dihydrobenzo[e]indol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium

Drug info:

PubChemData

Smile

C=CCCC(=O)NC(CC1=CC2=CC=CC=C2C=C1)CC(=O)O

DOS

IR

Vibrations