Geometry & MOs

Info

ID:	419939
PubChem CID:	135109898
Reduced:	SO2N3C20H31 (1)
Stoich.:	AB2C3D20E31 (1)
Weight, g/mol:	303.199843
ΔH_f, kcal/mol:	-67.75
Dipole, Da:	2.8
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3CCN(CC3)C(=O)C4=CC=CS4)CO

DOS

IR

Vibrations