Geometry & MOs

Info

ID:	145171
PubChem CID:	53473644
Reduced:	BSO4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	478.136749
ΔH_f, kcal/mol:	-225.91
Dipole, Da:	4.28
IP(EA), eV:	-9.04(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,4-bis[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C3=C2CCCC3)C4=CC=CS4)C(=O)OC

DOS

IR

Vibrations