Geometry & MOs

Info

ID:	197814
PubChem CID:	79003546
Reduced:	SN2O4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	288.079619
ΔH_f, kcal/mol:	-107.61
Dipole, Da:	8.81
IP(EA), eV:	-9.54(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-(5-methylhexyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations