Geometry & MOs

Info

ID:	49428
PubChem CID:	11533009
Reduced:	FN3O5C25H34 (1)
Stoich.:	AB3C5D25E34 (1)
Weight, g/mol:	475.22712
ΔH_f, kcal/mol:	-228.91
Dipole, Da:	2.23
IP(EA), eV:	-8.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyano-2-methoxynaphthalen-1-yl)methyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C(=C1)C)NC2=NC=CC(=C2OC)OC3CCN(CC3)C(=O)OC(C)C)F

DOS

IR

Vibrations