Geometry & MOs

Info

ID:	11776
PubChem CID:	120894
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-51.28
Dipole, Da:	1.77
IP(EA), eV:	-8.39(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR,7S,7aR,12bS)-9-methoxy-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

Drug info:

PubChemData

Smile

COC1=C2C3=C(C[C@H]4[C@H]5[C@]3(CCN4CC=C)[C@@H](O2)[C@H](C=C5)O)C=C1

DOS

IR

Vibrations