Geometry & MOs

Info

ID:	375814
PubChem CID:	134221804
Reduced:	F6H20C21 (1)
Stoich.:	A6B20C21 (1)
Weight, g/mol:	416.080235
ΔH_f, kcal/mol:	-304.17
Dipole, Da:	6.58
IP(EA), eV:	-9.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-(3-chloro-4-fluoro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)C)C)C)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations