Geometry & MOs

Info

ID:	375813
PubChem CID:	134221803
Reduced:	NO5C27H35 (1)
Stoich.:	AB5C27D35 (1)
Weight, g/mol:	386.14692
ΔH_f, kcal/mol:	-236.5
Dipole, Da:	4.87
IP(EA), eV:	-8.55(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3-trimethyl-5-[(E)-1,1,1-trifluoro-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-2-yl]benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=CC3=C2CCN3C(=O)OC(C)(C)C)C)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations