Geometry & MOs

Info

ID:	201655
PubChem CID:	79566523
Reduced:	ClF3N3C8H9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	213.055656
ΔH_f, kcal/mol:	-141.27
Dipole, Da:	2.17
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-4-chlorophenyl)-2-ethoxyethanone

Drug info:

PubChemData

Smile

C1=C(C=NC(=N1)NCCCC(F)(F)F)Cl

DOS

IR

Vibrations