Geometry & MOs

Info

ID:	150905
PubChem CID:	53790602
Reduced:	N5O10C26H41 (1)
Stoich.:	A5B10C26D41 (1)
Weight, g/mol:	313.204179
ΔH_f, kcal/mol:	-461.93
Dipole, Da:	14.44
IP(EA), eV:	-9.85(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylbut-2-enyl)-1,2,4,4a,5,6,7,7a-octahydro-[1]benzofuro[3,2-e]isoquinolin-9-ol

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CO)[C@H]([C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C1=CC=CC=C1)O)O)O)NC(=O)[C@H](CNC(=O)C)N

DOS

IR

Vibrations