Geometry & MOs

Info

ID:	236530
PubChem CID:	92713804
Reduced:	FON3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	390.18559
ΔH_f, kcal/mol:	7.21
Dipole, Da:	3.04
IP(EA), eV:	-8.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations