Geometry & MOs

Info

ID:	126874
PubChem CID:	50982921
Reduced:	N5C18H21 (1)
Stoich.:	A5B18C21 (1)
Weight, g/mol:	310.122989
ΔH_f, kcal/mol:	135.07
Dipole, Da:	2.81
IP(EA), eV:	-8.92(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-3-fluoropyridine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN(CC2=CC(=CC=C2)N3C=CC=N3)C4CC4

DOS

IR

Vibrations