Geometry & MOs

Info

ID:	414707
PubChem CID:	135087666
Reduced:	ON6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	351.184586
ΔH_f, kcal/mol:	14.19
Dipole, Da:	7.21
IP(EA), eV:	-8.96(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5-fluoro-2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=NC=CN1CCCN2CCCN(CC2)C(=O)C3=CN=CN3C

DOS

IR

Vibrations