Geometry & MOs

Info

ID:	382384
PubChem CID:	134973512
Reduced:	NOC8H14 (1)
Stoich.:	ABC8D14 (1)
Weight, g/mol:	334.214409
ΔH_f, kcal/mol:	-45.86
Dipole, Da:	4.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758011
Charge, e:	0

Chem-info

IUPAC name:

(5-methoxy-1,2,2-trimethyl-7-oxo-8-propan-2-yl-3,4-dihydro-1H-naphthalen-4a-yl)methyl acetate

Drug info:

PubChemData

Smile

CC=[N+]1CCCCCC1=O

DOS

IR

Vibrations