Geometry & MOs

Info

ID:	309146
PubChem CID:	126538689
Reduced:	ON2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-55.66
Dipole, Da:	3.22
IP(EA), eV:	-9.28(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aR,12bR)-9-methoxy-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol

Drug info:

PubChemData

Smile

CCN(CC1CCC(CC1)CN)C(=O)C=C

DOS

IR

Vibrations