Geometry & MOs

Info

ID:	285045
PubChem CID:	104092925
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	10.27
Dipole, Da:	3.09
IP(EA), eV:	-9.41(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-quinolin-5-yltriazol-4-yl)propan-1-ol

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2N3C=C(N=N3)CCCO

DOS

IR

Vibrations