Geometry & MOs

Info

ID:	367834
PubChem CID:	127325942
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	384.26376
ΔH_f, kcal/mol:	-111.61
Dipole, Da:	4.43
IP(EA), eV:	-8.76(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylcyclohexyl)piperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(N=C3)N(C(=O)NC4=O)C

DOS

IR

Vibrations