Geometry & MOs

Info

ID:	140104
PubChem CID:	52648373
Reduced:	SO3N6C21H24 (1)
Stoich.:	AB3C6D21E24 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-9.43
Dipole, Da:	12.72
IP(EA), eV:	-9.44(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3,4-dimethylphenoxy)pyridin-4-yl]methyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=C(C=CC(=C3)N4C=NN=N4)C

DOS

IR

Vibrations