Geometry & MOs

Info

ID:	171918
PubChem CID:	75441010
Reduced:	OF3N4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	333.135638
ΔH_f, kcal/mol:	-110.73
Dipole, Da:	7.48
IP(EA), eV:	-9.71(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CN2C3=C(C=NC=C3)C(=N2)C(F)(F)F

DOS

IR

Vibrations