Geometry & MOs

Info

ID:	1433
PubChem CID:	4419
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-138.08
Dipole, Da:	5.9
IP(EA), eV:	-8.33(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol

Drug info:

PubChemData

Smile

C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O

DOS

IR

Vibrations