Geometry & MOs

Info

ID:	353620
PubChem CID:	127285197
Reduced:	SN3O3C17H29 (1)
Stoich.:	AB3C3D17E29 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-168.34
Dipole, Da:	6.25
IP(EA), eV:	-9.02(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)CSCC(=O)N2CCCCC2

DOS

IR

Vibrations