Geometry & MOs

Info

ID:	6137
PubChem CID:	67121
Reduced:	NO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-81.37
Dipole, Da:	4.79
IP(EA), eV:	-10.86(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-nitrobenzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations