Geometry & MOs

Info

ID:	82840
PubChem CID:	49856654
Reduced:	S2N3O9H13C22 (1)
Stoich.:	A2B3C9D13E22 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-112.48
Dipole, Da:	9.63
IP(EA), eV:	-9.8(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,6-dimethylphenoxy)propan-2-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=COC(=C1)C2C(=C(C(=O)N2C3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])O)C(=O)C5=CC=CO5

DOS

IR

Vibrations