Geometry & MOs

Info

ID:	351294
PubChem CID:	127280182
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	389.279075
ΔH_f, kcal/mol:	-81.45
Dipole, Da:	3.59
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCN(CC2)CC(=O)N(C)C3CCCCC3

DOS

IR

Vibrations