Geometry & MOs

Info

ID:	287921
PubChem CID:	104298919
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-37.67
Dipole, Da:	3.13
IP(EA), eV:	-9.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(1-propylimidazol-2-yl)benzoic acid

Drug info:

PubChemData

Smile

CCCCOCCNC(=O)C1=CC(=C(C=C1)C#CCN)C

DOS

IR

Vibrations