Geometry & MOs

Info

ID:	264684
PubChem CID:	103482046
Reduced:	BrCl2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	341.02944
ΔH_f, kcal/mol:	-90.93
Dipole, Da:	1.6
IP(EA), eV:	-9.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=C(C(=CC=C1)Cl)Br)Cl

DOS

IR

Vibrations