Geometry & MOs

Info

ID:	375809
PubChem CID:	134221799
Reduced:	BrF3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	376.165014
ΔH_f, kcal/mol:	-165.91
Dipole, Da:	4.07
IP(EA), eV:	-9.32(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C)C(C(F)(F)F)Br

DOS

IR

Vibrations