Geometry & MOs

Info

ID:	355636
PubChem CID:	127289394
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-34.04
Dipole, Da:	6.25
IP(EA), eV:	-8.96(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxan-2-yl-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3(CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations