Geometry & MOs

Info

ID:	72540
PubChem CID:	48416284
Reduced:	NF3O4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	377.220223
ΔH_f, kcal/mol:	-353.37
Dipole, Da:	5.67
IP(EA), eV:	-8.78(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2-cyclohexyloxyacetyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2CCCC(C2)C(F)(F)F)C(=O)OC

DOS

IR

Vibrations