Geometry & MOs

Info

ID:	152494
PubChem CID:	56311432
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	451.25834
ΔH_f, kcal/mol:	-55.82
Dipole, Da:	3.57
IP(EA), eV:	-8.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations