Geometry & MOs

Info

ID:	325448
PubChem CID:	126683338
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	-30.86
Dipole, Da:	5.28
IP(EA), eV:	-8.46(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7aR)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

CN1CCC23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)O)O4)OC

DOS

IR

Vibrations