Geometry & MOs

Info

ID:	344436
PubChem CID:	127267612
Reduced:	O3N5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-95.56
Dipole, Da:	2.91
IP(EA), eV:	-9.34(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)CNC(=O)CC3CCCCC3

DOS

IR

Vibrations