Geometry & MOs

Info

ID:	217091
PubChem CID:	85087231
Reduced:	NO8C14H21 (1)
Stoich.:	AB8C14D21 (1)
Weight, g/mol:	335.154624
ΔH_f, kcal/mol:	-380.33
Dipole, Da:	1.93
IP(EA), eV:	-9.77(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-4-[5-(6-methylpyridin-2-yl)triazolidin-4-yl]pyridine

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(C1(C)O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations