Geometry & MOs

Info

ID:	228221
PubChem CID:	87563689
Reduced:	OSN2C9H20 (1)
Stoich.:	ABC2D9E20 (1)
Weight, g/mol:	321.00006
ΔH_f, kcal/mol:	-46.85
Dipole, Da:	3.67
IP(EA), eV:	-8.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-bromo-3-hydroxy-6-phenylpyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C)CCN(C)CC(=O)S

DOS

IR

Vibrations