Geometry & MOs

Info

ID:	382723
PubChem CID:	134974042
Reduced:	NC13H13 (1)
Stoich.:	AB13C13 (1)
Weight, g/mol:	296.162374
ΔH_f, kcal/mol:	68.39
Dipole, Da:	3.26
IP(EA), eV:	-9.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-hydroxy-5-methoxy-4-[(2S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C(/CC=C)\C#N

DOS

IR

Vibrations