Geometry & MOs

Info

ID:	414844
PubChem CID:	135087816
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	342.215472
ΔH_f, kcal/mol:	-163.65
Dipole, Da:	3.46
IP(EA), eV:	-8.45(-0.39)
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]-3-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)NC3=CC4=CC=CC=C4C=C3)OC[C@@H]1O)O

DOS

IR

Vibrations