Geometry & MOs

Info

ID:	367823
PubChem CID:	127325928
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-71.11
Dipole, Da:	2.05
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-[4-(4-methylcyclohexyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations