Geometry & MOs

Info

ID:	158999
PubChem CID:	57244486
Reduced:	NO5H11C14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	459.147985
ΔH_f, kcal/mol:	-82.81
Dipole, Da:	6.23
IP(EA), eV:	-9.75(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R,10S)-10-phenyl-3-[2-thiophen-2-yl-5-(trifluoromethoxy)phenyl]-1-oxa-9-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2[N+](=O)[O-])CCC(=O)C(=O)O

DOS

IR

Vibrations