Geometry & MOs

Info

ID:	328749
PubChem CID:	126727287
Reduced:	O2C5H10 (2)
Stoich.:	A2B5C10 (2)
Weight, g/mol:	552.256549
ΔH_f, kcal/mol:	-217.73
Dipole, Da:	2.65
IP(EA), eV:	-10.57(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methyl-N-[4-[10-(6-methylpyridin-3-yl)anthracen-9-yl]phenyl]aniline

Drug info:

PubChemData

Smile

CCC(C)(C)OC(=O)OCCCCO

DOS

IR

Vibrations