Geometry & MOs

Info

ID:	317294
PubChem CID:	126635420
Reduced:	NO6C29H47 (1)
Stoich.:	AB6C29D47 (1)
Weight, g/mol:	343.214744
ΔH_f, kcal/mol:	-169.64
Dipole, Da:	3.47
IP(EA), eV:	-8.6(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,4aS,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,11a,12a,13-decahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol

Drug info:

PubChemData

Smile

CCCC[C@@]12CCN(C(C1(C)O)CC3=C2C(=C(C=C3)OCCOCCOCCOC)O)CC4CCC4

DOS

IR

Vibrations