Geometry & MOs

Info

ID:	168981
PubChem CID:	75049155
Reduced:	NO5C28H37 (1)
Stoich.:	AB5C28D37 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	-190.11
Dipole, Da:	3.87
IP(EA), eV:	-9.49(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,13-trimethyl-8,12-dioxotetracyclo[11.2.1.01,10.02,7]hexadecane-6-carbaldehyde

Drug info:

PubChemData

Smile

CC12CCC3(C1)C(CC(C4C3(CCCC4(C)C(=O)OC)C)OC(=O)C5=CC=CC=C5)CC2=NO

DOS

IR

Vibrations