Geometry & MOs

Info

ID:	332687
PubChem CID:	127250973
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	436.202302
ΔH_f, kcal/mol:	27.03
Dipole, Da:	5.66
IP(EA), eV:	-7.95(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-6-fluoroindol-3-yl)methyl]-2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)CC4=CN(C5=C4C=CC(=C5)OC)C

DOS

IR

Vibrations