Geometry & MOs

Info

ID:	350257
PubChem CID:	127277335
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-29.81
Dipole, Da:	7.07
IP(EA), eV:	-8.82(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-3-yl-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CCC1CCCC1NC(=O)N2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations