Geometry & MOs

Info

ID:	236592
PubChem CID:	92714140
Reduced:	FO2N3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	349.122655
ΔH_f, kcal/mol:	-24.22
Dipole, Da:	3.87
IP(EA), eV:	-8.33(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2-fluoroanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@H](C3=C(C2=O)C=CC=N3)NC4=CC=CC=C4F

DOS

IR

Vibrations