Geometry & MOs

Info

ID:	189029
PubChem CID:	77806383
Reduced:	O2C11H15 (2)
Stoich.:	A2B11C15 (2)
Weight, g/mol:	572.361408
ΔH_f, kcal/mol:	-195.23
Dipole, Da:	5.1
IP(EA), eV:	-8.97(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[11-hydroxy-7-[6-phenylhexyl(propan-2-yl)amino]-3-prop-2-enyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate

Drug info:

PubChemData

Smile

CCC12CCC3(C(C1CCC2CC(=O)O)CCC4=C3C=CC(=C4)OC)O

DOS

IR

Vibrations