Geometry & MOs

Info

ID:	351255
PubChem CID:	127280143
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-79.45
Dipole, Da:	1.86
IP(EA), eV:	-8.86(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)CCC3=CC=CC=N3

DOS

IR

Vibrations