Geometry & MOs

Info

ID:	393983
PubChem CID:	135022086
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-33.03
Dipole, Da:	4.7
IP(EA), eV:	-9.11(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-8-hydroxy-3,4,7-trimethyl-2-oxo-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-5a-carbonitrile

Drug info:

PubChemData

Smile

CCC(=O)O[C@]12C=C[C@H](C[C@@]1(C[C@H]([C@H]3[C@@H]2O3)C)C#N)C

DOS

IR

Vibrations