Geometry & MOs

Info

ID:	409365
PubChem CID:	135082145
Reduced:	ON2C23H24 (1)
Stoich.:	AB2C23D24 (1)
Weight, g/mol:	510.384824
ΔH_f, kcal/mol:	40.04
Dipole, Da:	1.96
IP(EA), eV:	-8.9(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(Z)-10-pyridin-3-yldec-8-enyl]-3-[(Z)-10-pyridin-4-yldec-7-enyl]pyridin-1-ium

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=CC(=N1)OC)C2=CC=CC=C2)C=NC3=CC=CC=C3

DOS

IR

Vibrations