Geometry & MOs

Info

ID:	359523
PubChem CID:	127298797
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	-77.06
Dipole, Da:	4.61
IP(EA), eV:	-8.68(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC2=CC=CC=C2CN3CCCC3=O)C

DOS

IR

Vibrations