Geometry & MOs

Info

ID:	67047
PubChem CID:	46505760
Reduced:	BrOSC15H17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	298.19328
ΔH_f, kcal/mol:	-11.31
Dipole, Da:	3.49
IP(EA), eV:	-9.35(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-cyclopentyl-5-[(2-propan-2-yloxyphenyl)methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)C2CC/C(=C\C3=CC=C(S3)Br)/C2=O

DOS

IR

Vibrations