Geometry & MOs

Info

ID:	419754
PubChem CID:	135108960
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	394.14749
ΔH_f, kcal/mol:	-12.64
Dipole, Da:	4.5
IP(EA), eV:	-8.76(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(C=C2)CN(CCO)CC3=CN=CN3C

DOS

IR

Vibrations