Geometry & MOs

Info

ID:	171629
PubChem CID:	75408435
Reduced:	N2O3H16C19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	611.317472
ΔH_f, kcal/mol:	-29.62
Dipole, Da:	1.63
IP(EA), eV:	-8.56(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2Z)-2-[(Z)-3-(5-isoquinolin-1-yl-1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]-1,3,3-trimethylindol-5-yl]isoquinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=CC=C(C2=O)NC(=O)/C=C/C3=CC=CO3

DOS

IR

Vibrations