Geometry & MOs

Info

ID:	305637
PubChem CID:	124963545
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	14.55
Dipole, Da:	3.46
IP(EA), eV:	-9.05(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(6S)-1,4-oxazepan-6-yl]methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCC3(CC2)C[C@H](OC3)CC4=NC=CN=C4

DOS

IR

Vibrations