Geometry & MOs

Info

ID:	223620
PubChem CID:	85335320
Reduced:	ClPO7C18H20 (1)
Stoich.:	ABC7D18E20 (1)
Weight, g/mol:	459.204573
ΔH_f, kcal/mol:	-202.67
Dipole, Da:	4.64
IP(EA), eV:	-8.35(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] 2-phenylacetate

Drug info:

PubChemData

Smile

COC1(C2(C3CC4CC2C=C(C4)C3)OO1)C5=CC(=C(C=C5)Cl)OP(=O)(O)O

DOS

IR

Vibrations