Geometry & MOs

Info

ID:	345591
PubChem CID:	127269891
Reduced:	ON2C11H20 (1)
Stoich.:	AB2C11D20 (1)
Weight, g/mol:	387.170668
ΔH_f, kcal/mol:	-60.73
Dipole, Da:	3.64
IP(EA), eV:	-9.36(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)NCC2CCC2

DOS

IR

Vibrations