Geometry & MOs

Info

ID:	422110
PubChem CID:	135117222
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	325.150093
ΔH_f, kcal/mol:	-65.91
Dipole, Da:	5.95
IP(EA), eV:	-8.49(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)NC4CCCCCC4

DOS

IR

Vibrations