Geometry & MOs

Info

ID:	126301
PubChem CID:	50959062
Reduced:	FN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	360.190989
ΔH_f, kcal/mol:	30.5
Dipole, Da:	5.03
IP(EA), eV:	-9.12(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C2=NNC(=N2)CCC3=CC=CC=C3

DOS

IR

Vibrations