Geometry & MOs

Info

ID:	28929
PubChem CID:	830721
Reduced:	N2O3H16C20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	296.235145
ΔH_f, kcal/mol:	-23.47
Dipole, Da:	2.14
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2R,4aS,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations