Geometry & MOs

Info

ID:	186306
PubChem CID:	77416882
Reduced:	N4O6C11H12 (1)
Stoich.:	A4B6C11D12 (1)
Weight, g/mol:	442.175579
ΔH_f, kcal/mol:	-169.95
Dipole, Da:	6.53
IP(EA), eV:	-10.46(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[3-(4-methylphenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]pentanoic acid

Drug info:

PubChemData

Smile

C1=NC(=O)C2C(=N1)N(C=N2)C3C(C(C(O3)CC(=O)O)O)O

DOS

IR

Vibrations