Geometry & MOs

Info

ID:	85127
PubChem CID:	49871988
Reduced:	O2N7C30H33 (1)
Stoich.:	A2B7C30D33 (1)
Weight, g/mol:	486.080491
ΔH_f, kcal/mol:	15.18
Dipole, Da:	8.16
IP(EA), eV:	-8.38(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[1-(4-chlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]phenyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C)C1=NN(C2=NC=CC(=C12)C3=CN=C4C(=C3)C=CN4C)C5=CC(=C(C=C5)C(=O)N)NC6CCC(CC6)O

DOS

IR

Vibrations