Geometry & MOs

Info

ID:	279567
PubChem CID:	103844354
Reduced:	F2N2O3C13H18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-141.82
Dipole, Da:	7.77
IP(EA), eV:	-9.2(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C=C(C=C1F)[N+](=O)[O-])F)CO

DOS

IR

Vibrations