Geometry & MOs

Info

ID:	416659
PubChem CID:	135089966
Reduced:	ON4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	29.74
Dipole, Da:	1.31
IP(EA), eV:	-9.08(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenoxy)methyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]furan-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC3=CC(=CC=C3)C#N

DOS

IR

Vibrations