Geometry & MOs

Info

ID:	363742
PubChem CID:	127313378
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	325.200156
ΔH_f, kcal/mol:	-75.59
Dipole, Da:	8.71
IP(EA), eV:	-8.57(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CN=C4C=CC=CN4C3=O

DOS

IR

Vibrations