Geometry & MOs

Info

ID:	420332
PubChem CID:	135112520
Reduced:	NO3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	289.134779
ΔH_f, kcal/mol:	-138.72
Dipole, Da:	2.73
IP(EA), eV:	-8.68(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)CCCOC3=CC=CC=C3)O

DOS

IR

Vibrations