Geometry & MOs

Info

ID:	439448
PubChem CID:	135229222
Reduced:	F3N3H8C9 (1)
Stoich.:	A3B3C8D9 (1)
Weight, g/mol:	628.297745
ΔH_f, kcal/mol:	-90.68
Dipole, Da:	6.8
IP(EA), eV:	-10.56(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-phenylphenyl)-[3-(4-prop-2-enoxyphenyl)cyclopenta-2,4-dien-1-yl]methyl]-1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)benzene

Drug info:

PubChemData

Smile

CC1C(=NC2=CC(=NN=C12)C(F)(F)F)C

DOS

IR

Vibrations