Geometry & MOs

Info

ID:	84963
PubChem CID:	49870961
Reduced:	ClO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	332.198759
ΔH_f, kcal/mol:	-41.97
Dipole, Da:	2.6
IP(EA), eV:	-9.05(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2'R,5R,6S,9R)-2'-(hydroxymethyl)-3',3'-dimethyl-10-methylidenespiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,1'-cyclohexane]-2,11-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCN.Cl

DOS

IR

Vibrations