Geometry & MOs

Info

ID:	236546
PubChem CID:	92713875
Reduced:	Cl2O2N3H13C18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	3.44
Dipole, Da:	3.27
IP(EA), eV:	-9.02(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2,5-dimethylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1=CC2=C([C@H](N(C2=O)CC3=CC=CO3)NC4=CC(=CC(=C4)Cl)Cl)N=C1

DOS

IR

Vibrations