Geometry & MOs

Info

ID:	236565
PubChem CID:	92714034
Reduced:	FN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	379.13322
ΔH_f, kcal/mol:	-64.17
Dipole, Da:	2.19
IP(EA), eV:	-8.67(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)N2[C@H](C3=C(C2=O)C=CC=N3)NC4=CC(=CC=C4)F

DOS

IR

Vibrations