Geometry & MOs

Info

ID:	364971
PubChem CID:	127316621
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	322.152872
ΔH_f, kcal/mol:	-96.44
Dipole, Da:	3.74
IP(EA), eV:	-9.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(oxan-4-yloxy)pyridin-4-yl]methyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NO2)C(=O)NCC3=CC(=NC=C3)OC4CCOCC4

DOS

IR

Vibrations