Geometry & MOs

Info

ID:	49721
PubChem CID:	11533659
Reduced:	O2N6H28C31 (1)
Stoich.:	A2B6C28D31 (1)
Weight, g/mol:	516.242436
ΔH_f, kcal/mol:	43.58
Dipole, Da:	2.99
IP(EA), eV:	-8.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[4-[(3-tert-butyl-5-phenylmethoxypyrazol-1-yl)methyl]phenoxy]methyl]-2-fluorophenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=NC=NC=C2)CC3=CC=C(C=C3)C4=C(C=C5C(=N4)C=CNC5=O)C6=CC=CC=C6

DOS

IR

Vibrations