Geometry & MOs

Info

ID:	79302
PubChem CID:	49747937
Reduced:	NO3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	402.195486
ΔH_f, kcal/mol:	-163.35
Dipole, Da:	2.84
IP(EA), eV:	-8.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCC(C2=CC=CO2)N3CCOCC3

DOS

IR

Vibrations