Geometry & MOs

Info

ID:	236529
PubChem CID:	92713801
Reduced:	FN3O3H18C22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	333.12774
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	3.62
IP(EA), eV:	-9.11(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-anilino-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)F

DOS

IR

Vibrations