Geometry & MOs

Info

ID:	209537
PubChem CID:	80685309
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	9.98
Dipole, Da:	5.59
IP(EA), eV:	-8.62(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-aminophenoxy)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(C)NCCC2=NN(C=N2)C

DOS

IR

Vibrations