Geometry & MOs

Info

ID:	236556
PubChem CID:	92713940
Reduced:	Cl2O2N3H13C18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	383.02694
ΔH_f, kcal/mol:	8.47
Dipole, Da:	2.53
IP(EA), eV:	-8.96(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(4-bromoanilino)-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=C(C=CC(=C4)Cl)Cl)N=C1

DOS

IR

Vibrations