Geometry & MOs

Info

ID:	306241
PubChem CID:	125003183
Reduced:	SN6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	62.92
Dipole, Da:	2.84
IP(EA), eV:	-8.47(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(2S)-4-(2-methylpyridine-3-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@H]2CCCN(C2)CC3=NC=CN3)NC4=NC(=C(S4)C)C

DOS

IR

Vibrations