Geometry & MOs

Info

ID:	269072
PubChem CID:	103609944
Reduced:	OF2N4C10H10 (1)
Stoich.:	AB2C4D10E10 (1)
Weight, g/mol:	283.14331
ΔH_f, kcal/mol:	-71.8
Dipole, Da:	4.42
IP(EA), eV:	-9.32(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC2=NN=C(N2C=C1)CCNC(=O)C(F)F

DOS

IR

Vibrations