Geometry & MOs

Info

ID:	223621
PubChem CID:	85335321
Reduced:	NO5C28H29 (1)
Stoich.:	AB5C28D29 (1)
Weight, g/mol:	459.240959
ΔH_f, kcal/mol:	-117.34
Dipole, Da:	3.78
IP(EA), eV:	-8.93(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyclobutylmethyl)-4a-hydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] 2-phenylacetate

Drug info:

PubChemData

Smile

C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)OC(=O)CC7=CC=CC=C7)O5)O

DOS

IR

Vibrations