Geometry & MOs

Info

ID:	37074
PubChem CID:	8016529
Reduced:	N2O5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	314.175619
ΔH_f, kcal/mol:	-181.84
Dipole, Da:	2.24
IP(EA), eV:	-8.37(0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4R,4aR,7R,7aR,12bR)-9-methoxy-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)O)NC(=O)N1CCC2=CC(=C(C=C2[C@@H]1C3=CC=CC=C3)OC)OC

DOS

IR

Vibrations