Geometry & MOs

Info

ID:	83188
PubChem CID:	49857260
Reduced:	NOC15H24 (2)
Stoich.:	ABC15D24 (2)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-117.21
Dipole, Da:	3.32
IP(EA), eV:	-8.71(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-5,6-dimethylcycloheptane-1,3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CN2CCC[C@H]3[C@H]2[C@H](C1=O)CCC/C=C/[C@H]4CCCN5[C@@H]4[C@@H](CCCCC3)C(=O)[C@@H](C5)C

DOS

IR

Vibrations