Geometry & MOs

Info

ID:	252934
PubChem CID:	103115007
Reduced:	ClN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	265.061804
ΔH_f, kcal/mol:	-66.14
Dipole, Da:	3.55
IP(EA), eV:	-9.86(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorophenyl)methyl]-1-ethyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2=C(N=NN2CCO)C(=O)O)Cl

DOS

IR

Vibrations