Geometry & MOs

Info

ID:	272979
PubChem CID:	103769468
Reduced:	ClION4H8C10 (1)
Stoich.:	ABCD4E8F10 (1)
Weight, g/mol:	234.07529
ΔH_f, kcal/mol:	53.66
Dipole, Da:	2.95
IP(EA), eV:	-9.81(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dihydroxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CN1C(=NC=N1)NC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations