Geometry & MOs

Info

ID:	12284
PubChem CID:	134136
Reduced:	ClNO5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	417.134301
ΔH_f, kcal/mol:	-150.63
Dipole, Da:	4.64
IP(EA), eV:	-8.75(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CN2CCC34[C@H]5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)OC(=O)CCl

DOS

IR

Vibrations