Geometry & MOs

Info

ID:	320262
PubChem CID:	126659076
Reduced:	INC2H2O2 (1)
Stoich.:	ABC2D2E2 (1)
Weight, g/mol:	510.209599
ΔH_f, kcal/mol:	28.62
Dipole, Da:	3.9
IP(EA), eV:	-10.65(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-(1,2-dihydropyridin-4-yl)-16-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2(19),3,5(14),6,8,10,12,15,17,20,22,24(28),25-tetradecaenyl]-1,2-dihydropyridine

Drug info:

PubChemData

Smile

C(=C/I)\[N+](=O)[O-]

DOS

IR

Vibrations