Geometry & MOs

Info

ID:	164525
PubChem CID:	74412312
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	386.196748
ΔH_f, kcal/mol:	-103.14
Dipole, Da:	4.49
IP(EA), eV:	-9.24(0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-2-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethenyl]pyridin-1-ium

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCCC1C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(C)NC

DOS

IR

Vibrations