Geometry & MOs

Info

ID:	201913
PubChem CID:	79603945
Reduced:	BrClC11H12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	385.98162
ΔH_f, kcal/mol:	13.46
Dipole, Da:	1.25
IP(EA), eV:	-9.6(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dibromo-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC=CCCCl)Br

DOS

IR

Vibrations