Geometry & MOs

Info

ID:	236566
PubChem CID:	92714035
Reduced:	FN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-66.08
Dipole, Da:	3.42
IP(EA), eV:	-8.76(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-6-(2,5-dimethoxyphenyl)-7-(2-ethylanilino)-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