Geometry & MOs

Info

ID:	53539
PubChem CID:	14716528
Reduced:	OC14H21 (2)
Stoich.:	AB14C21 (2)
Weight, g/mol:	626.235162
ΔH_f, kcal/mol:	-119.35
Dipole, Da:	0.9
IP(EA), eV:	-8.41(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzenesulfonate;(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1-phenyl-2-pyridin-3-ylindol-1-ium-3-ylidene)ethylidene]pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC1=CC(=C(C=C1O)C2=CC=CC=C2)O

DOS

IR

Vibrations