Geometry & MOs

Info

ID:	187415
PubChem CID:	77571382
Reduced:	PNa2O10C22H37 (1)
Stoich.:	AB2C10D22E37 (1)
Weight, g/mol:	292.02113
ΔH_f, kcal/mol:	-656.63
Dipole, Da:	6.14
IP(EA), eV:	-8.3(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-amino-2-methylphenyl)-3-bromo-4-methyl-3H-pyridin-2-one

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCC)C(=O)OCC(C1C(=C(C(=O)O1)OP(=O)([O-])[O-])O)O.[Na+].[Na+]

DOS

IR

Vibrations