Geometry & MOs

Info

ID:	84633
PubChem CID:	49868984
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-118.0
Dipole, Da:	4.51
IP(EA), eV:	-8.86(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(7aR)-3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] propanoate

Drug info:

PubChemData

Smile

CC(=O)OC1=C2C3=C(C[C@@H]4[C@H]5C3(CCN4C)[C@@H](O2)C(=O)CC5)C=C1

DOS

IR

Vibrations