Geometry & MOs

Info

ID:	38800
PubChem CID:	8137943
Reduced:	FN2O4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	367.178358
ΔH_f, kcal/mol:	-130.76
Dipole, Da:	6.14
IP(EA), eV:	-9.45(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-butoxybenzoate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)O[C@H](C)C2=NN=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations