Geometry & MOs

Info

ID:	256069
PubChem CID:	103136846
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	285.03644
ΔH_f, kcal/mol:	-55.09
Dipole, Da:	3.48
IP(EA), eV:	-9.49(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=NC3=C(C2=O)C=CC(=C3)Br

DOS

IR

Vibrations