Geometry & MOs

Info

ID:	207282
PubChem CID:	80372478
Reduced:	OF2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	225.15896
ΔH_f, kcal/mol:	-131.05
Dipole, Da:	2.42
IP(EA), eV:	-9.27(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CC2=CC(=C(C=C2)F)F)N

DOS

IR

Vibrations