Geometry & MOs

Info

ID:	335459
PubChem CID:	127254321
Reduced:	ClO3N4H15C22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	342.09642
ΔH_f, kcal/mol:	-30.56
Dipole, Da:	4.16
IP(EA), eV:	-9.2(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-oxo-N-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]pyran-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=CN=C(C=C5)Cl

DOS

IR

Vibrations