Geometry & MOs

Info

ID:	381958
PubChem CID:	134972834
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	292.203845
ΔH_f, kcal/mol:	-45.92
Dipole, Da:	5.86
IP(EA), eV:	-9.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-1,5,6-trimethyl-5-(2-oxoethyl)-2,3,4,6,7,8-hexahydronaphthalen-1-yl]methyl acetate

Drug info:

PubChemData

Smile

C1CC2(CC(=NO2)C3=CC=CC=C3)C(=CC1=O)O

DOS

IR

Vibrations