Geometry & MOs

Info

ID:	306016
PubChem CID:	125000450
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	20.43
Dipole, Da:	1.53
IP(EA), eV:	-9.28(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-4-benzylsulfonylmorpholin-2-yl]-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)C2CCN(CC2)C(=O)CN3C=C(C=N3)C

DOS

IR

Vibrations