Geometry & MOs

Info

ID:	347181
PubChem CID:	127271722
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-80.77
Dipole, Da:	8.89
IP(EA), eV:	-9.13(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-cyclopropylpropanamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCC(CC3)C(=O)N4CCCC4

DOS

IR

Vibrations