Geometry & MOs

Info

ID:	81848
PubChem CID:	49855251
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	460.246104
ΔH_f, kcal/mol:	9.94
Dipole, Da:	1.8
IP(EA), eV:	-8.6(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,4S,5R,6R,7S,9R)-5-acetyloxy-4-hydroxy-2,10,10-trimethyl-7-phenylmethoxy-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl acetate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CC4=C(C5=CC=CN5C(=O)N4)N=C3

DOS

IR

Vibrations