Geometry & MOs

Info

ID:	285074
PubChem CID:	104096050
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	245.00514
ΔH_f, kcal/mol:	-88.29
Dipole, Da:	3.48
IP(EA), eV:	-9.28(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(2-methoxypropyl)pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C)NC(=O)C(C)OC

DOS

IR

Vibrations