Geometry & MOs

Info

ID:	216552
PubChem CID:	85086409
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	280.167459
ΔH_f, kcal/mol:	34.62
Dipole, Da:	5.77
IP(EA), eV:	-8.26(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-acetyl-8-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(C(NN2)NC3=CC=CC=C3)N

DOS

IR

Vibrations