Geometry & MOs

Info

ID:	399817
PubChem CID:	135042929
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	278.128235
ΔH_f, kcal/mol:	-166.92
Dipole, Da:	5.69
IP(EA), eV:	-9.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethyl-7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

C/C/1=C\CCC2=C[C@@H](C(CCC13OCCO3)(C)C)OC2=O

DOS

IR

Vibrations