Geometry & MOs

Info

ID:	343403
PubChem CID:	127266576
Reduced:	N4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	331.13322
ΔH_f, kcal/mol:	110.13
Dipole, Da:	4.62
IP(EA), eV:	-8.79(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CN=CC=C2)CN3CCC(CC3)C#C

DOS

IR

Vibrations