Geometry & MOs

Info

ID:	306707
PubChem CID:	125165402
Reduced:	ClON2H19C23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	439.263506
ΔH_f, kcal/mol:	61.07
Dipole, Da:	7.59
IP(EA), eV:	-8.23(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC2=CC(=C3C=CNC4=C3C=CC(=C4)Cl)C=CC2=O

DOS

IR

Vibrations