Geometry & MOs

Info

ID:	77029
PubChem CID:	48425726
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-147.06
Dipole, Da:	5.04
IP(EA), eV:	-8.27(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC2=C(C=CC(=C2)OCC)OC1

DOS

IR

Vibrations