Geometry & MOs

Info

ID:	405290
PubChem CID:	135073346
Reduced:	Cl2O2H22C27 (1)
Stoich.:	A2B2C22D27 (1)
Weight, g/mol:	547.166473
ΔH_f, kcal/mol:	48.21
Dipole, Da:	2.72
IP(EA), eV:	-9.07(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C\1C(/C1=C/C2=CC=CC=C2)COCC#CC(C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations