Geometry & MOs

Info

ID:	195792
PubChem CID:	78732384
Reduced:	N3O6H19C21 (1)
Stoich.:	A3B6C19D21 (1)
Weight, g/mol:	315.127072
ΔH_f, kcal/mol:	-113.69
Dipole, Da:	3.92
IP(EA), eV:	-8.54(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)NC(=O)C=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

DOS

IR

Vibrations