Geometry & MOs

Info

ID:	326317
PubChem CID:	126687324
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-48.01
Dipole, Da:	1.48
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6R,7aR)-3-hydroxy-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one

Drug info:

PubChemData

Smile

CCC(CN1C[C@H]([C@H](C1)CO)CCCC2=CC=CC=C2)C3=NC=C(C=N3)O

DOS

IR

Vibrations