Geometry & MOs

Info

ID:	278861
PubChem CID:	103839180
Reduced:	BrN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-69.1
Dipole, Da:	3.59
IP(EA), eV:	-9.3(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-(4-methylpentan-2-yl)-4-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)NC2CCOC2

DOS

IR

Vibrations