Geometry & MOs

Info

ID:	4529
PubChem CID:	11562
Reduced:	BrNC6H6 (1)
Stoich.:	ABC6D6 (1)
Weight, g/mol:	170.96836
ΔH_f, kcal/mol:	22.49
Dipole, Da:	3.05
IP(EA), eV:	-8.81(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromoaniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)N

DOS

IR

Vibrations