Geometry & MOs

Info

ID:	373379
PubChem CID:	131314412
Reduced:	SN3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	211.95853
ΔH_f, kcal/mol:	62.69
Dipole, Da:	2.43
IP(EA), eV:	-9.23(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-methyl-6-oxo-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(S1)C=CC(=C2)C(C#N)N

DOS

IR

Vibrations