Geometry & MOs

Info

ID:	424386
PubChem CID:	135122500
Reduced:	N2O3C17H26 (1)
Stoich.:	A2B3C17D26 (1)
Weight, g/mol:	216.035335
ΔH_f, kcal/mol:	-127.84
Dipole, Da:	4.69
IP(EA), eV:	-9.67(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-chloro-5-fluorobenzoate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)CC3(C2)CCOCC3)CC(C)CO

DOS

IR

Vibrations