Geometry & MOs

Info

ID:	296019
PubChem CID:	117551163
Reduced:	BrO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	249.103275
ΔH_f, kcal/mol:	-75.16
Dipole, Da:	2.5
IP(EA), eV:	-8.57(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2(COC2)Br)OC

DOS

IR

Vibrations