Geometry & MOs

Info

ID:	337357
PubChem CID:	127257042
Reduced:	BrN2O2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-6.1
Dipole, Da:	6.59
IP(EA), eV:	-8.52(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(ethylaminomethylidene)-2-methyl-5-(methylsulfinylmethyl)pyridin-3-one

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)N/C=C\2/C=C(C=CC2=O)Br)O

DOS

IR

Vibrations