Geometry & MOs

Info

ID:	172994
PubChem CID:	75580396
Reduced:	FN3O7C21H30 (1)
Stoich.:	AB3C7D21E30 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-328.81
Dipole, Da:	2.7
IP(EA), eV:	-9.09(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-11-olate

Drug info:

PubChemData

Smile

CC1CC(C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations