Geometry & MOs

Info

ID:	236646
PubChem CID:	92714305
Reduced:	F3N3O3H18C22 (1)
Stoich.:	A3B3C3D18E22 (1)
Weight, g/mol:	377.153955
ΔH_f, kcal/mol:	-190.49
Dipole, Da:	4.94
IP(EA), eV:	-8.83(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2[C@H](C3=C(C2=O)C=CC=N3)NC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations