Geometry & MOs

Info

ID:	344564
PubChem CID:	127268148
Reduced:	O2N4C21H34 (1)
Stoich.:	A2B4C21D34 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-102.42
Dipole, Da:	5.01
IP(EA), eV:	-9.17(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CC(=O)NC3(CCCCC3)C#N

DOS

IR

Vibrations