Geometry & MOs

Info

ID:	280736
PubChem CID:	103851048
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	288.118653
ΔH_f, kcal/mol:	-110.51
Dipole, Da:	4.34
IP(EA), eV:	-9.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-difluorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1CC(=NO1)C2=CC=CC=C2

DOS

IR

Vibrations