Geometry & MOs

Info

ID:	157705
PubChem CID:	56436639
Reduced:	O4N5C24H39 (1)
Stoich.:	A4B5C24D39 (1)
Weight, g/mol:	332.08085
ΔH_f, kcal/mol:	-194.48
Dipole, Da:	2.32
IP(EA), eV:	-8.83(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-methyl-2-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCCCN1CCN(CC1)C(=O)OC(C)(C)C)NC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations