Geometry & MOs

Info

ID:	359886
PubChem CID:	127299930
Reduced:	O4N5C18H29 (1)
Stoich.:	A4B5C18D29 (1)
Weight, g/mol:	393.206385
ΔH_f, kcal/mol:	-111.19
Dipole, Da:	7.02
IP(EA), eV:	-8.92(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CCN2CCN(CC2)C(C)C(=O)N3CCOCC3

DOS

IR

Vibrations