Geometry & MOs

Info

ID:	375998
PubChem CID:	134221997
Reduced:	FNO3C28H32 (1)
Stoich.:	ABC3D28E32 (1)
Weight, g/mol:	340.125041
ΔH_f, kcal/mol:	-119.98
Dipole, Da:	4.12
IP(EA), eV:	-8.27(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-1,3-dimethyl-5-[(E)-1,1,1-trifluoro-4-(3-fluoro-4-methylphenyl)but-3-en-2-yl]benzene

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C(=C1)C)C2=C(C(=CC3=C2CCN3C(=C)/C=C/C=C)C)CC(=O)O)F

DOS

IR

Vibrations