Geometry & MOs

Info

ID:	346809
PubChem CID:	127271313
Reduced:	FN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	373.155018
ΔH_f, kcal/mol:	-123.57
Dipole, Da:	4.94
IP(EA), eV:	-8.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)NCC2=CC(=CC3=C2OCOC3)F)C4=CC=CC=C4

DOS

IR

Vibrations