Geometry & MOs

Info

ID:	148968
PubChem CID:	53788639
Reduced:	Cl2N2F3H5C7 (1)
Stoich.:	A2B2C3D5E7 (1)
Weight, g/mol:	434.205301
ΔH_f, kcal/mol:	-105.06
Dipole, Da:	4.91
IP(EA), eV:	-10.08(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclohexyl-[4-(3-formyl-4-nitrophenoxy)butanoyl]amino]propyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N(C(F)(F)F)NCl)Cl

DOS

IR

Vibrations