Geometry & MOs

Info

ID:	399680
PubChem CID:	135041729
Reduced:	BrNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-137.2
Dipole, Da:	3.83
IP(EA), eV:	-10.49(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1E)-2,6,6-trimethyl-7-methylidenecycloocten-1-yl]propan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCBr)C1CCC(C(=O)C1C#N)C

DOS

IR

Vibrations