Geometry & MOs

Info

ID:	325942
PubChem CID:	126685703
Reduced:	NH19C23 (2)
Stoich.:	AB19C23 (2)
Weight, g/mol:	382.240899
ΔH_f, kcal/mol:	163.53
Dipole, Da:	1.97
IP(EA), eV:	-7.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3Z,5Z)-hepta-3,5-dien-2-yl]-7-[(1E,3Z)-hexa-1,3-dienyl]-2,9-dimethyl-1,10-phenanthroline

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(C2=CC=CC=C2)C3=CC=CC4=C3C=CCC4)C5=C(C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87)C

DOS

IR

Vibrations