Geometry & MOs

Info

ID:	418752
PubChem CID:	135106702
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	351.204573
ΔH_f, kcal/mol:	-62.14
Dipole, Da:	2.97
IP(EA), eV:	-9.34(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CC(=O)N(CCO)CC2=CN=C(N2)C

DOS

IR

Vibrations