Geometry & MOs

Info

ID:	67148
PubChem CID:	46505954
Reduced:	NOBr2H19C22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	46.72
Dipole, Da:	3.71
IP(EA), eV:	-9.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,5Z)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-5-(2-methylpropylidene)cyclopentan-1-one

Drug info:

PubChemData

Smile

CN1C2/C(=C\C3=CC(=CC=C3)Br)/C(=O)/C(=C/C4=CC(=CC=C4)Br)/C1CC2

DOS

IR

Vibrations