Geometry & MOs

Info

ID:	70516
PubChem CID:	48413459
Reduced:	ON5C21H35 (1)
Stoich.:	AB5C21D35 (1)
Weight, g/mol:	371.203134
ΔH_f, kcal/mol:	-31.44
Dipole, Da:	4.88
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-2-phenylsulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C(=NN2C)C)C(C)C

DOS

IR

Vibrations