Geometry & MOs

Info

ID:	70180
PubChem CID:	47211494
Reduced:	ClN3O4C10H10 (1)
Stoich.:	AB3C4D10E10 (1)
Weight, g/mol:	252.12224
ΔH_f, kcal/mol:	-68.65
Dipole, Da:	4.05
IP(EA), eV:	-9.94(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(pyrimidin-2-ylamino)ethyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)N)C(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations