Geometry & MOs

Info

ID:	59150
PubChem CID:	24771255
Reduced:	ON5H9C10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	390.063442
ΔH_f, kcal/mol:	37.62
Dipole, Da:	6.38
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(4-chlorophenyl)-4-(trifluoromethyl)phenyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

C1C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)N1

DOS

IR

Vibrations