Geometry & MOs

Info

ID:	394758
PubChem CID:	135023706
Reduced:	NOC19H19 (1)
Stoich.:	ABC19D19 (1)
Weight, g/mol:	270.16198
ΔH_f, kcal/mol:	26.22
Dipole, Da:	2.35
IP(EA), eV:	-8.51(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S)-4-(2-phenylethynyl)-2-propan-2-yl-1-oxaspiro[2.5]octan-4-ol

Drug info:

PubChemData

Smile

C1CC2C(=CC3=CC=CC=C3)OCC4=CC=CC=C4N2C1

DOS

IR

Vibrations