Geometry & MOs

Info

ID:	180956
PubChem CID:	76711265
Reduced:	N3O5F6C27H29 (1)
Stoich.:	A3B5C6D27E29 (1)
Weight, g/mol:	738.548815
ΔH_f, kcal/mol:	-502.84
Dipole, Da:	8.12
IP(EA), eV:	-9.32(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-ethylhexoxy)-4-[1-isocyano-2-(7-methyl-9,9-dioctylfluoren-2-yl)ethenyl]-5-methylphenyl]but-2-enenitrile

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CCC(CN2)(C(=O)N)NC(=O)COC(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations