Geometry & MOs

Info

ID:	339262
PubChem CID:	127260641
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	201.99933
ΔH_f, kcal/mol:	-149.58
Dipole, Da:	4.18
IP(EA), eV:	-9.94(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(bromomethylidene)-6-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](C1=O)OC(=O)C

DOS

IR

Vibrations