Geometry & MOs

Info

ID:	351250
PubChem CID:	127280138
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-71.73
Dipole, Da:	5.95
IP(EA), eV:	-8.91(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)N2CCN(CC2)CC(=O)N(C)C3CCCCC3

DOS

IR

Vibrations