Geometry & MOs

Info

ID:	325453
PubChem CID:	126683344
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	371.136887
ΔH_f, kcal/mol:	-127.18
Dipole, Da:	2.5
IP(EA), eV:	-8.62(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (4R,7aR)-4a,9-dihydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CN1C2CCC1CC(C2)OCC([C@H](CO)C3=CC=CC=C3)O

DOS

IR

Vibrations