Geometry & MOs

Info

ID:	130441
PubChem CID:	51090867
Reduced:	ON7C15H17 (1)
Stoich.:	AB7C15D17 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	69.5
Dipole, Da:	6.48
IP(EA), eV:	-8.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)C2=CC=CC=C2NC(=O)CN3C=NC=N3

DOS

IR

Vibrations