Geometry & MOs

Info

ID:	187390
PubChem CID:	77568278
Reduced:	F2N3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	602.335587
ΔH_f, kcal/mol:	-202.86
Dipole, Da:	1.67
IP(EA), eV:	-9.29(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)O)C(=O)NC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations