Geometry & MOs

Info

ID:	220364
PubChem CID:	85177563
Reduced:	NO5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	260.214016
ΔH_f, kcal/mol:	-257.07
Dipole, Da:	2.0
IP(EA), eV:	-9.76(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-methyl-1-(6-methylhept-3-yn-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

Drug info:

PubChemData

Smile

CC1(CC(CN1C(=O)OC(C)(C)C)O)C(=O)OC

DOS

IR

Vibrations