Geometry & MOs

Info

ID:	309921
PubChem CID:	126567415
Reduced:	FN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	446.200571
ΔH_f, kcal/mol:	-110.03
Dipole, Da:	5.46
IP(EA), eV:	-9.53(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-[3-[(E)-2-[5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazol-4-yl]ethenyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2=C(C=CC(=C2)OC)F)CC(C)C

DOS

IR

Vibrations