Geometry & MOs

Info

ID:	364753
PubChem CID:	127316059
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-69.8
Dipole, Da:	4.08
IP(EA), eV:	-9.12(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxan-2-yl-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(OC1)CCC(=O)N2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations