Geometry & MOs

Info

ID:	205341
PubChem CID:	80089407
Reduced:	ClFNC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	283.105587
ΔH_f, kcal/mol:	-64.08
Dipole, Da:	4.36
IP(EA), eV:	-9.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-nitro-4-pentan-3-yloxybenzoic acid

Drug info:

PubChemData

Smile

CCC(CC)C(C1=CC(=C(C=C1)F)Cl)NCC

DOS

IR

Vibrations