Geometry & MOs

Info

ID:	216962
PubChem CID:	85087038
Reduced:	SN3O3C15H21 (1)
Stoich.:	AB3C3D15E21 (1)
Weight, g/mol:	319.097521
ΔH_f, kcal/mol:	-94.92
Dipole, Da:	3.12
IP(EA), eV:	-9.44(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-chloro-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

Drug info:

PubChemData

Smile

CCC(C(=O)OCC)SC1NC(=O)C(NN1)C2=CC=CC=C2

DOS

IR

Vibrations