Geometry & MOs

Info

ID:	171000
PubChem CID:	75310180
Reduced:	Cl2N2O7C23H24 (1)
Stoich.:	A2B2C7D23E24 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-257.46
Dipole, Da:	2.78
IP(EA), eV:	-9.03(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C1C(OCO1)C(=O)NC(CC2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)C(=O)O

DOS

IR

Vibrations