Geometry & MOs

Info

ID:	419231
PubChem CID:	135107806
Reduced:	ClN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-97.79
Dipole, Da:	6.22
IP(EA), eV:	-8.89(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-phenylmethoxybenzamide

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=C(C=C(C=C3)Cl)OC

DOS

IR

Vibrations