Geometry & MOs

Info

ID:	359349
PubChem CID:	127298398
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-74.87
Dipole, Da:	4.13
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)CCC3=NC=CS3

DOS

IR

Vibrations