Geometry & MOs

Info

ID:	305735
PubChem CID:	124967244
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	358.131091
ΔH_f, kcal/mol:	-58.01
Dipole, Da:	5.53
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(2R)-4-morpholin-4-ylsulfonylmorpholin-2-yl]ethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)C[C@]2(CCN(C2)C(=O)/C=C/C3=CC=CC=C3)O

DOS

IR

Vibrations