Geometry & MOs

Info

ID:	335348
PubChem CID:	127254210
Reduced:	N2O5C23H36 (1)
Stoich.:	A2B5C23D36 (1)
Weight, g/mol:	391.214744
ΔH_f, kcal/mol:	-213.61
Dipole, Da:	2.75
IP(EA), eV:	-8.57(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations