Geometry & MOs

Info

ID:	296039
PubChem CID:	117552235
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	262.111756
ΔH_f, kcal/mol:	-54.56
Dipole, Da:	1.89
IP(EA), eV:	-8.75(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)CCCC(=O)O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations