Geometry & MOs

Info

ID:	216352
PubChem CID:	85086085
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	257.00514
ΔH_f, kcal/mol:	6.04
Dipole, Da:	8.3
IP(EA), eV:	-9.15(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-butanoyl-2-methyl-3H-pyridin-6-one

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)N=C(C2=CC=NC=C2)[O-])CCCO

DOS

IR

Vibrations