Geometry & MOs

Info

ID:	335213
PubChem CID:	127254074
Reduced:	N2O5C32H50 (1)
Stoich.:	A2B5C32D50 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-209.09
Dipole, Da:	5.77
IP(EA), eV:	-8.39(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanone

Drug info:

PubChemData

Smile

CCCCC[C@@H](C=C[C@H]1CCC(=NO)[C@@H]1CCCCCCC(=O)N2CCC3=CC(=C(C=C3[C@@H]2C)OC)OC)O

DOS

IR

Vibrations