Geometry & MOs

Info

ID:	125272
PubChem CID:	50917907
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	364.224974
ΔH_f, kcal/mol:	-21.95
Dipole, Da:	5.18
IP(EA), eV:	-9.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,4S,7aR)-5-[(2S)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 3-methylpentanoate

Drug info:

PubChemData

Smile

CCCCNC(=O)C#CC1=CC=C(C=C1)OC

DOS

IR

Vibrations