Geometry & MOs

Info

ID:	337875
PubChem CID:	127258498
Reduced:	NO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	309.121237
ΔH_f, kcal/mol:	-110.53
Dipole, Da:	4.81
IP(EA), eV:	-9.41(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-butanoyloxybutan-2-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations