Geometry & MOs

Info

ID:	347100
PubChem CID:	127271604
Reduced:	F3N3O3C16H20 (1)
Stoich.:	A3B3C3D16E20 (1)
Weight, g/mol:	349.18017
ΔH_f, kcal/mol:	-253.31
Dipole, Da:	6.24
IP(EA), eV:	-9.03(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC(F)F)C(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations