Geometry & MOs

Info

ID:	131407
PubChem CID:	51201358
Reduced:	ClNO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-144.78
Dipole, Da:	6.17
IP(EA), eV:	-8.49(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC3=C(C(=C2)Cl)OCO3

DOS

IR

Vibrations