Geometry & MOs

Info

ID:	41224
PubChem CID:	8145493
Reduced:	FO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	374.211804
ΔH_f, kcal/mol:	-93.73
Dipole, Da:	5.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757331
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCC2(CC1)C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations