Geometry & MOs

Info

ID:	346816
PubChem CID:	127271320
Reduced:	FO3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	390.170333
ΔH_f, kcal/mol:	-97.27
Dipole, Da:	3.43
IP(EA), eV:	-8.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CN=C2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations