Geometry & MOs

Info

ID:	188928
PubChem CID:	77787022
Reduced:	OSF3N3C20H26 (1)
Stoich.:	ABC3D3E20F26 (1)
Weight, g/mol:	321.170194
ΔH_f, kcal/mol:	-193.95
Dipole, Da:	2.3
IP(EA), eV:	-9.0(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-phenylethyl)-4-(triazolidin-4-yl)-1,2,4-triazol-3-yl]pyridine

Drug info:

PubChemData

Smile

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(C=C3)SC4CC(NC4)C(F)(F)F

DOS

IR

Vibrations