Geometry & MOs

Info

ID:	10430
PubChem CID:	101809
Reduced:	NO3C24H25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	375.183444
ΔH_f, kcal/mol:	-46.56
Dipole, Da:	3.12
IP(EA), eV:	-8.49(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7S,12bS)-3-methyl-9-phenylmethoxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

Drug info:

PubChemData

Smile

CN1CC[C@]23C4[C@@H]1CC5=C2C(=C(C=C5)OCC6=CC=CC=C6)OC3[C@H](C=C4)O

DOS

IR

Vibrations