Geometry & MOs

Info

ID:	306199
PubChem CID:	125002567
Reduced:	O4N5C18H21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-93.52
Dipole, Da:	7.33
IP(EA), eV:	-8.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1COC[C@]2(CC3=C(N=C(N=C3O2)N)N)CN1CC4=CC=CC=C4C(=O)O

DOS

IR

Vibrations