Geometry & MOs

Info

ID:	407486
PubChem CID:	135080231
Reduced:	BrO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	304.04628
ΔH_f, kcal/mol:	-68.7
Dipole, Da:	4.63
IP(EA), eV:	-9.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-2-cyclohexylidenebut-3-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)/C=C(\C1=CC=C(C=C1)Br)/C(=O)O

DOS

IR

Vibrations