Geometry & MOs

Info

ID:	442302
PubChem CID:	135251156
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	518.202857
ΔH_f, kcal/mol:	-101.76
Dipole, Da:	6.72
IP(EA), eV:	-9.26(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] (3R)-3-(3-cyanophenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=CC2=C(C=C1C)C(OCC2(C)C)(C)C)C3=NC=C(C=N3)C(=O)O

DOS

IR

Vibrations