Geometry & MOs

Info

ID:	153176
PubChem CID:	56312328
Reduced:	N3O5C24H35 (1)
Stoich.:	A3B5C24D35 (1)
Weight, g/mol:	452.253589
ΔH_f, kcal/mol:	-212.68
Dipole, Da:	4.02
IP(EA), eV:	-8.45(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C(=O)C(C)N2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations