Geometry & MOs

Info

ID:	325457
PubChem CID:	126683373
Reduced:	NO4C21H21 (1)
Stoich.:	AB4C21D21 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	20.11
Dipole, Da:	5.6
IP(EA), eV:	-8.59(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,4aS,7aR)-4a-hydroxy-9-methoxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

COC1=C2C3=C(C[C@@H]4C5(C3(CCN4CC6=CC6)[C@@H](O2)C(=O)C=C5)O)C=C1

DOS

IR

Vibrations