Geometry & MOs

Info

ID:	279968
PubChem CID:	103845991
Reduced:	BrINC9H11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	352.92761
ΔH_f, kcal/mol:	35.3
Dipole, Da:	2.03
IP(EA), eV:	-9.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-iodophenyl)butan-1-amine

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)I)Br)NC

DOS

IR

Vibrations