Geometry & MOs

Info

ID:	262334
PubChem CID:	103285932
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	269.106336
ΔH_f, kcal/mol:	-79.31
Dipole, Da:	1.55
IP(EA), eV:	-10.2(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpentyl 3-fluoro-4-nitrobenzoate

Drug info:

PubChemData

Smile

CCCC(C)COC(=O)C1=NC(=CC=C1)Cl

DOS

IR

Vibrations