Geometry & MOs

Info

ID:	141363
PubChem CID:	52866940
Reduced:	O4N5C21H23 (1)
Stoich.:	A4B5C21D23 (1)
Weight, g/mol:	429.201219
ΔH_f, kcal/mol:	-45.01
Dipole, Da:	7.08
IP(EA), eV:	-8.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-trimethoxy-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C(C)(C)C3=CC4=C(C=C3)OCCO4)OC

DOS

IR

Vibrations