Geometry & MOs

Info

ID:	264685
PubChem CID:	103482101
Reduced:	BrClN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	353.02944
ΔH_f, kcal/mol:	32.22
Dipole, Da:	4.2
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]-6-methylpiperidine

Drug info:

PubChemData

Smile

CC(C)CC(C1=CN=CN1C2=C(C(=CC=C2)Cl)Br)N

DOS

IR

Vibrations