Geometry & MOs

Info

ID:	28210
PubChem CID:	826315
Reduced:	ClN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	261.074956
ΔH_f, kcal/mol:	-41.84
Dipole, Da:	2.81
IP(EA), eV:	-8.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-nitrophenyl)imidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN(C=N2)CCC(=O)O)Cl

DOS

IR

Vibrations