Geometry & MOs

Info

ID:	192248
PubChem CID:	78248937
Reduced:	ClFNO3H15C17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	410.219215
ΔH_f, kcal/mol:	-138.32
Dipole, Da:	1.29
IP(EA), eV:	-9.93(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)C(=O)C3=C(O2)C(=O)NC3C4=CC=C(C=C4)F

DOS

IR

Vibrations