Geometry & MOs

Info

ID:	57896
PubChem CID:	24278342
Reduced:	Cl2O2N3H7C10 (1)
Stoich.:	A2B2C3D7E10 (1)
Weight, g/mol:	328.012996
ΔH_f, kcal/mol:	-21.16
Dipole, Da:	5.03
IP(EA), eV:	-9.94(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2,4-dichlorophenyl)-5-methyltriazole-4-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)N2C(=CN=N2)CC(=O)O

DOS

IR

Vibrations