Geometry & MOs

Info

ID:	20204
PubChem CID:	582687
Reduced:	NO3C7H9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	310.116486
ΔH_f, kcal/mol:	-179.24
Dipole, Da:	7.36
IP(EA), eV:	-10.22(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-acetamido-4-hydroxypentan-3-yl) 4-nitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations