Geometry & MOs

Info

ID:	7604
PubChem CID:	73476
Reduced:	NO5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	367.141973
ΔH_f, kcal/mol:	-118.24
Dipole, Da:	6.98
IP(EA), eV:	-8.51(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aS,7aR,12bS)-3-(furan-3-ylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

C1C[C@]2([C@@H]3CC4=C5[C@@]2(CCN3CC6=COC=C6)[C@H](C1=O)OC5=C(C=C4)O)O

DOS

IR

Vibrations