Geometry & MOs

Info

ID:	207349
PubChem CID:	80385564
Reduced:	SF2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-32.57
Dipole, Da:	2.21
IP(EA), eV:	-9.26(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxypropyl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCNCCC1=NN=C(S1)CC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations