Geometry & MOs

Info

ID:	147989
PubChem CID:	53787651
Reduced:	N2O3H24C29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	344.08357
ΔH_f, kcal/mol:	20.33
Dipole, Da:	1.51
IP(EA), eV:	-8.34(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-difluoro-4-(trifluoromethyl)phenyl] 4-propylbenzoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C2=CC3=C(C=C21)OCO3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations