Geometry & MOs

Info

ID:	157845
PubChem CID:	56437586
Reduced:	F3O3N4C15H21 (1)
Stoich.:	A3B3C4D15E21 (1)
Weight, g/mol:	449.253923
ΔH_f, kcal/mol:	-255.83
Dipole, Da:	6.56
IP(EA), eV:	-9.7(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)COCC(F)(F)F

DOS

IR

Vibrations