Geometry & MOs

Info

ID:	356539
PubChem CID:	127291761
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-159.32
Dipole, Da:	4.32
IP(EA), eV:	-9.22(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-4-yl-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CS(=O)(=O)C3CCCC3)C

DOS

IR

Vibrations