Geometry & MOs

Info

ID:	339250
PubChem CID:	127260629
Reduced:	BrOC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	4.99
IP(EA), eV:	-9.87(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(cyclohex-3-en-1-ylmethylidene)cyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@H]1CCCC(=O)[C@@H]1CCCBr

DOS

IR

Vibrations