Geometry & MOs

Info

ID:	41223
PubChem CID:	8145492
Reduced:	FO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	375.219629
ΔH_f, kcal/mol:	-118.47
Dipole, Da:	5.12
IP(EA), eV:	-8.34(0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations