Geometry & MOs

Info

ID:	127433
PubChem CID:	51002221
Reduced:	ClN2O4H15C21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	427.99272
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	6.34
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromophenyl)-2-chloro-5-hydroxy-1-(4-methylphenyl)-4H-pyrrolo[3,2-b]pyridin-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC3=C2C(=O)C(=C(N3)O)C4=CC(=CC=C4)C(=O)O)Cl

DOS

IR

Vibrations