Geometry & MOs

Info

ID:	132103
PubChem CID:	51305940
Reduced:	ClN2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-110.95
Dipole, Da:	3.66
IP(EA), eV:	-9.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methoxypyridin-3-yl)methyl]-4-(4-methylphenoxy)butanamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)Cl)OC)OC

DOS

IR

Vibrations