Geometry & MOs

Info

ID:	335302
PubChem CID:	127254163
Reduced:	N2O4C23H36 (1)
Stoich.:	A2B4C23D36 (1)
Weight, g/mol:	418.298414
ΔH_f, kcal/mol:	-189.39
Dipole, Da:	3.63
IP(EA), eV:	-8.49(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-(diethylamino)phenyl]-2-[(E)-3-phenylprop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

Drug info:

PubChemData

Smile

CCCCCNC(=O)CN1CCC2(CCCCC2[C@@H]1C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations