Geometry & MOs

Info

ID:	305789
PubChem CID:	124969208
Reduced:	O2N4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	42.58
Dipole, Da:	5.13
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[(3-methylpyridin-4-yl)methyl]-2-(2-methylpyrimidin-4-yl)morpholine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CN=CC(=N2)[C@H]3CN(CCO3)CC4=C5C=CC=NC5=CC=C4

DOS

IR

Vibrations