Geometry & MOs

Info

ID:	296449
PubChem CID:	117574818
Reduced:	BrON2C6H11 (1)
Stoich.:	ABC2D6E11 (1)
Weight, g/mol:	218.94504
ΔH_f, kcal/mol:	-45.46
Dipole, Da:	3.0
IP(EA), eV:	-9.03(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(chloromethyl)aniline

Drug info:

PubChemData

Smile

C1CN(CCN1CBr)C=O

DOS

IR

Vibrations