Geometry & MOs

Info

ID:	57799
PubChem CID:	24277427
Reduced:	O2N5H9C12 (1)
Stoich.:	A2B5C9D12 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	34.08
Dipole, Da:	6.1
IP(EA), eV:	-10.2(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)benzoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC2=NN=C(N12)C3=CC=NC=C3)C(=O)O

DOS

IR

Vibrations