Geometry & MOs

Info

ID:	236520
PubChem CID:	92713788
Reduced:	FON3H20C22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	361.15904
ΔH_f, kcal/mol:	-9.25
Dipole, Da:	4.86
IP(EA), eV:	-8.62(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2,3-dimethylanilino)-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N[C@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)F)C

DOS

IR

Vibrations