Geometry & MOs

Info

ID:	327204
PubChem CID:	126689212
Reduced:	FPO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	526.175339
ΔH_f, kcal/mol:	-227.96
Dipole, Da:	3.01
IP(EA), eV:	-9.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[cyano(dipyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)P(=O)(O)OC2=CC=C(C=C2)F

DOS

IR

Vibrations