Geometry & MOs

Info

ID:	359344
PubChem CID:	127298393
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	389.279075
ΔH_f, kcal/mol:	-90.21
Dipole, Da:	1.42
IP(EA), eV:	-8.78(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-ethyl-5-propan-2-ylpyrazole-3-carbonyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations