Geometry & MOs

Info

ID:	441960
PubChem CID:	135247146
Reduced:	NH41C46 (1)
Stoich.:	AB41C46 (1)
Weight, g/mol:	613.232954
ΔH_f, kcal/mol:	218.7
Dipole, Da:	4.18
IP(EA), eV:	-7.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9,9-difluoro-7-phenanthren-2-yl-5,6-dihydrofluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

Drug info:

PubChemData

Smile

C1CC=C2C=C(C(=CC2C1)C3=CC=C(C=C3)C4=CC=C(C=C4)C5(C6=C(C7=CC=CCC7C=C6)C8=CC=CC=C85)C9=CC=CCC9)CN

DOS

IR

Vibrations