Geometry & MOs

Info

ID:	436348
PubChem CID:	135199215
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	517.27695
ΔH_f, kcal/mol:	60.17
Dipole, Da:	1.78
IP(EA), eV:	-8.64(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(1,1-diphenylethyl)-8-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-[(3E)-penta-1,3-dien-3-yl]phenanthridine

Drug info:

PubChemData

Smile

CC=N/C(=C(/C)\C=C)/C1=C(C=CC=N1)C

DOS

IR

Vibrations