Geometry & MOs

Info

ID:	143342
PubChem CID:	53194672
Reduced:	SO2N5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-19.54
Dipole, Da:	3.67
IP(EA), eV:	-8.71(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopentyl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-yl)-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=CN=C2)N=C(C1=O)N3CCN(CC3)C(=O)C4=CC5=C(S4)CCCC5

DOS

IR

Vibrations