Geometry & MOs

Info

ID:	404619
PubChem CID:	135067953
Reduced:	BrFOH16C20 (1)
Stoich.:	ABCD16E20 (1)
Weight, g/mol:	386.112979
ΔH_f, kcal/mol:	-11.22
Dipole, Da:	3.02
IP(EA), eV:	-8.99(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC2=CC=CC=C12)Br)OC/C=C/C3=CC=C(C=C3)F

DOS

IR

Vibrations