Geometry & MOs

Info

ID:	207259
PubChem CID:	80367671
Reduced:	OF2N2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	-124.34
Dipole, Da:	2.41
IP(EA), eV:	-9.64(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(aminomethyl)phenyl]methyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CCN)C(=O)CC1=CC(=C(C=C1)F)F

DOS

IR

Vibrations