Geometry & MOs

Info

ID:	443428
PubChem CID:	135258980
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	866.340947
ΔH_f, kcal/mol:	-0.24
Dipole, Da:	6.27
IP(EA), eV:	-8.99(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12'-[4-cyclohexa-2,4-dien-1-yl-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=O)C(=C1)NC3=NC=NC4=C3C=CN4)CC5(CCCC5)NC2=O

DOS

IR

Vibrations