Geometry & MOs

Info

ID:	361683
PubChem CID:	127304398
Reduced:	O3N6C19H24 (1)
Stoich.:	A3B6C19D24 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	13.18
Dipole, Da:	4.18
IP(EA), eV:	-9.52(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3=CC4=C(N=C3)ON=C4C(C)C

DOS

IR

Vibrations