Geometry & MOs

Info

ID:	335505
PubChem CID:	127254367
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	341.112404
ΔH_f, kcal/mol:	-84.29
Dipole, Da:	3.85
IP(EA), eV:	-8.48(-0.87)
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]-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCCN1C=CC2=C(C=CC=C21)NC(=O)C3=CC(=O)C(=CN3)OC

DOS

IR

Vibrations