Geometry & MOs

Info

ID:	202322
PubChem CID:	79657497
Reduced:	ON5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	239.17461
ΔH_f, kcal/mol:	0.68
Dipole, Da:	2.38
IP(EA), eV:	-8.51(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-propylmorpholin-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine

Drug info:

PubChemData

Smile

CCCN1CCOC(C1)C2=NNC(=N2)CN

DOS

IR

Vibrations