Geometry & MOs

Info

ID:	267311
PubChem CID:	103581734
Reduced:	BrClNOSC11H15 (1)
Stoich.:	ABCDEF11G15 (1)
Weight, g/mol:	287.00764
ΔH_f, kcal/mol:	-14.06
Dipole, Da:	6.28
IP(EA), eV:	-8.53(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]pent-4-en-2-amine

Drug info:

PubChemData

Smile

CS(=O)CCCNCC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations