Geometry & MOs

Info

ID:	337356
PubChem CID:	127257041
Reduced:	NO4H5C8 (1)
Stoich.:	AB4C5D8 (1)
Weight, g/mol:	291.98474
ΔH_f, kcal/mol:	-88.9
Dipole, Da:	3.75
IP(EA), eV:	-10.34(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-bromo-6-[[(3-hydroxypyridin-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1C=O)C=O)O)C=O

DOS

IR

Vibrations