Geometry & MOs

Info

ID:	253301
PubChem CID:	103117520
Reduced:	FN4O4C12H19 (1)
Stoich.:	AB4C4D12E19 (1)
Weight, g/mol:	261.170194
ΔH_f, kcal/mol:	-204.48
Dipole, Da:	7.34
IP(EA), eV:	-10.41(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[5-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC1=C(N=NN1CCF)C(=O)O

DOS

IR

Vibrations