Geometry & MOs

Info

ID:	415302
PubChem CID:	135088294
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	349.188923
ΔH_f, kcal/mol:	-108.13
Dipole, Da:	5.4
IP(EA), eV:	-8.58(-0.21)
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-[4-(hydroxymethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CCO)C3=C1C4=CC=CC=C4N3

DOS

IR

Vibrations