Geometry & MOs

Info

ID:	69028
PubChem CID:	46515884
Reduced:	ClFN3O3C22H25 (1)
Stoich.:	ABC3D3E22F25 (1)
Weight, g/mol:	474.172562
ΔH_f, kcal/mol:	-125.46
Dipole, Da:	4.85
IP(EA), eV:	-8.95(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=CO2)C(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations