Geometry & MOs

Info

ID:	236605
PubChem CID:	92714217
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	405.132471
ΔH_f, kcal/mol:	-75.15
Dipole, Da:	3.06
IP(EA), eV:	-8.54(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(1,3-benzodioxol-5-ylamino)-6-(2,4-dimethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1N[C@@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=C(C=C4)OC

DOS

IR

Vibrations