Geometry & MOs

Info

ID:	441299
PubChem CID:	135234001
Reduced:	SN2C18H32 (1)
Stoich.:	AB2C18D32 (1)
Weight, g/mol:	653.246713
ΔH_f, kcal/mol:	-12.6
Dipole, Da:	2.99
IP(EA), eV:	-8.34(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexa-1,3-dien-1-yl-4-(8-phenanthren-3-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

Drug info:

PubChemData

Smile

CC/C(=C(/NC(=C)C(C)C)\SC(=NC)C1CCCCC1)/C

DOS

IR

Vibrations