Geometry & MOs

Info

ID:	171482
PubChem CID:	75383243
Reduced:	O2F3N4C15H15 (1)
Stoich.:	A2B3C4D15E15 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-131.6
Dipole, Da:	3.37
IP(EA), eV:	-9.87(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pentan-1-ol

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN(C)CC2=NC3=C(O2)C=CC(=C3)C(F)(F)F

DOS

IR

Vibrations