Geometry & MOs

Info

ID:	359323
PubChem CID:	127298370
Reduced:	O3N4C21H36 (1)
Stoich.:	A3B4C21D36 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-162.01
Dipole, Da:	2.63
IP(EA), eV:	-8.79(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC1C(=O)N2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations