Geometry & MOs

Info

ID:	370625
PubChem CID:	127339775
Reduced:	OSN6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	359.141596
ΔH_f, kcal/mol:	65.22
Dipole, Da:	5.24
IP(EA), eV:	-9.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1-ethylpyrazol-4-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CSC(=N3)C4=CN(N=C4)C

DOS

IR

Vibrations