Geometry & MOs

Info

ID:	281034
PubChem CID:	103852490
Reduced:	BrClNC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	258.97634
ΔH_f, kcal/mol:	23.05
Dipole, Da:	0.46
IP(EA), eV:	-9.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-chlorophenyl)but-3-en-1-amine

Drug info:

PubChemData

Smile

C1CC1CC(C2=CC(=CC(=C2)Br)Cl)N

DOS

IR

Vibrations