Geometry & MOs

Info

ID:	359290
PubChem CID:	127298222
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	310.164105
ΔH_f, kcal/mol:	-83.41
Dipole, Da:	3.15
IP(EA), eV:	-8.73(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

C1COCC1C(=O)NC2=NN(C=C2)CCN3CCOCC3

DOS

IR

Vibrations