Geometry & MOs

Info

ID:	147236
PubChem CID:	53786890
Reduced:	N2O2H3C4 (2)
Stoich.:	A2B2C3D4 (2)
Weight, g/mol:	296.158786
ΔH_f, kcal/mol:	-107.12
Dipole, Da:	3.85
IP(EA), eV:	-9.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-difluoro-4-(4-propylcyclohexyl)phenyl] acetate

Drug info:

PubChemData

Smile

C(=O)C(C=O)C1=NC2=C(N1)C(=O)NC(=O)N2

DOS

IR

Vibrations