Geometry & MOs

Info

ID:	347094
PubChem CID:	127271598
Reduced:	FN3O3C20H30 (1)
Stoich.:	AB3C3D20E30 (1)
Weight, g/mol:	385.143784
ΔH_f, kcal/mol:	-175.21
Dipole, Da:	5.49
IP(EA), eV:	-8.57(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-oxo-2-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CCN1CCN(CC1)C(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations