Geometry & MOs

Info

ID:	145899
PubChem CID:	53609080
Reduced:	FN5C18H22 (1)
Stoich.:	AB5C18D22 (1)
Weight, g/mol:	345.227709
ΔH_f, kcal/mol:	32.17
Dipole, Da:	3.97
IP(EA), eV:	-9.42(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)CC3=C(C=C(C=C3)C#N)F

DOS

IR

Vibrations