Geometry & MOs

Info

ID:	414556
PubChem CID:	135087515
Reduced:	ON3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	369.175165
ΔH_f, kcal/mol:	-33.13
Dipole, Da:	6.03
IP(EA), eV:	-8.79(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluorophenyl)-1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCOC1CCCN(C1)CC2=CN=CN2CC

DOS

IR

Vibrations