Geometry & MOs

Info

ID:	336061
PubChem CID:	127255068
Reduced:	N2F3O3C23H27 (1)
Stoich.:	A2B3C3D23E27 (1)
Weight, g/mol:	355.128054
ΔH_f, kcal/mol:	-262.7
Dipole, Da:	3.11
IP(EA), eV:	-8.76(-0.71)
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-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C(=O)CC3(CCOCC3)N4C=CC=C4

DOS

IR

Vibrations