Geometry & MOs

Info

ID:	79244
PubChem CID:	49747621
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	442.226786
ΔH_f, kcal/mol:	-64.44
Dipole, Da:	3.97
IP(EA), eV:	-9.06(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CNC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3

DOS

IR

Vibrations