Geometry & MOs

Info

ID:	194500
PubChem CID:	78546524
Reduced:	NO3H23C25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	377.142722
ΔH_f, kcal/mol:	-59.92
Dipole, Da:	3.41
IP(EA), eV:	-8.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-benzylbenzoate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC=CC=C3CC4=CC=CC=C4

DOS

IR

Vibrations