Geometry & MOs

Info

ID:	371646
PubChem CID:	131269611
Reduced:	ClN3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	330.82604
ΔH_f, kcal/mol:	57.81
Dipole, Da:	7.71
IP(EA), eV:	-9.77(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-4-iodoaniline

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=C1[C@@H]2CCN2)C)Cl)C#N

DOS

IR

Vibrations