Geometry & MOs

Info

ID:	36910
PubChem CID:	8014601
Reduced:	FNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-181.67
Dipole, Da:	7.05
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-ethoxybenzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F

DOS

IR

Vibrations