Geometry & MOs

Info

ID:	263675
PubChem CID:	103388494
Reduced:	FN3O3C12H18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	302.119734
ΔH_f, kcal/mol:	-77.25
Dipole, Da:	8.19
IP(EA), eV:	-9.06(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(4-chloro-3-fluoroanilino)propyl]carbamate

Drug info:

PubChemData

Smile

COCC(CCCN)NC1=CC(=C(C=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations