Geometry & MOs

Info

ID:	335909
PubChem CID:	127254771
Reduced:	FO3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	356.11207
ΔH_f, kcal/mol:	-25.11
Dipole, Da:	5.8
IP(EA), eV:	-9.25(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-oxopyran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=CC=NC3=NC(=NN23)CC4=CC=C(C=C4)F)OC)OC

DOS

IR

Vibrations