Geometry & MOs

Info

ID:	381947
PubChem CID:	134972818
Reduced:	BrNOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	43.74
Dipole, Da:	3.74
IP(EA), eV:	-9.44(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxy-5-methylphenyl)-4,5,5-trimethylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

C1[C@H](C(=NO[C@H]1C2=CC=CC=C2)CBr)C3=CC=CC=C3

DOS

IR

Vibrations