Geometry & MOs

Info

ID:	296030
PubChem CID:	117551803
Reduced:	BrN3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	30.6
Dipole, Da:	4.71
IP(EA), eV:	-8.37(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylphenyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)CC2CCNC2)C3=CC=CC=C3Br

DOS

IR

Vibrations