Geometry & MOs

Info

ID:	396545
PubChem CID:	135028721
Reduced:	BrNO4H18C22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	189.078979
ΔH_f, kcal/mol:	-93.01
Dipole, Da:	6.89
IP(EA), eV:	-8.44(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-hydroxy-6-propan-2-ylidene-5H-cyclopenta[b]pyridin-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(C2C(=O)C3=C(O2)C=C(OC3=O)C)C4=CC=C(C=C4)Br

DOS

IR

Vibrations