Geometry & MOs

Info

ID:	412887
PubChem CID:	135085823
Reduced:	ClION2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	285.97601
ΔH_f, kcal/mol:	34.36
Dipole, Da:	4.34
IP(EA), eV:	-9.66(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-bromoprop-2-enoxy)prop-2-enyl]-3-chlorobenzene

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1I)C(=O)C2=CC(=CN=C2)Cl

DOS

IR

Vibrations