Geometry & MOs

Info

ID:	307100
PubChem CID:	125267582
Reduced:	ClO2N4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	339.130695
ΔH_f, kcal/mol:	47.59
Dipole, Da:	2.62
IP(EA), eV:	-8.99(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-1-methyl-2,3-dihydroindol-3-yl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(N=N1)OC(=C([C@H]2C3=CC(=C(C=C3)OC)Cl)C#N)N

DOS

IR

Vibrations