Geometry & MOs

Info

ID:	272123
PubChem CID:	103725603
Reduced:	N2O3C12H24 (1)
Stoich.:	A2B3C12D24 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-171.64
Dipole, Da:	3.91
IP(EA), eV:	-9.57(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCCC(CCO)CNC(=O)CN(C)C(=O)C

DOS

IR

Vibrations