Geometry & MOs

Info

ID:	201842
PubChem CID:	79591925
Reduced:	BrNCl2H12C17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	297.05284
ΔH_f, kcal/mol:	49.94
Dipole, Da:	2.89
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-bromo-5-fluorophenyl)pent-3-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2Cl)C(C3=C(C=CC(=C3)Br)Cl)N

DOS

IR

Vibrations