Geometry & MOs

Info

ID:	21819
PubChem CID:	591695
Reduced:	NO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-83.55
Dipole, Da:	5.14
IP(EA), eV:	-10.81(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl 4-nitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations