Geometry & MOs

Info

ID:	186664
PubChem CID:	77464558
Reduced:	F2O4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	398.124212
ΔH_f, kcal/mol:	-208.9
Dipole, Da:	7.88
IP(EA), eV:	-9.58(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-phenyl-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1(C(C1C2=CC3=C(C=C2)OC(O3)(F)F)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations