Geometry & MOs

Info

ID:	228437
PubChem CID:	87564471
Reduced:	O5C19H26 (1)
Stoich.:	A5B19C26 (1)
Weight, g/mol:	539.189513
ΔH_f, kcal/mol:	-202.02
Dipole, Da:	7.84
IP(EA), eV:	-8.67(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)/C=C/C(C)C(C(C)C)(C(=O)O)C(=O)O

DOS

IR

Vibrations