Geometry & MOs

Info

ID:	415291
PubChem CID:	135088283
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-71.13
Dipole, Da:	6.13
IP(EA), eV:	-7.99(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC4=C(N3C)C=CC(=C4)OC

DOS

IR

Vibrations