Geometry & MOs

Info

ID:	13663
PubChem CID:	396590
Reduced:	N3O6C16H21 (1)
Stoich.:	A3B6C16D21 (1)
Weight, g/mol:	351.143035
ΔH_f, kcal/mol:	-199.72
Dipole, Da:	1.5
IP(EA), eV:	-9.48(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[butanoyloxymethoxycarbonyl(methyl)amino]diazenyl]benzoate

Drug info:

PubChemData

Smile

CCCC(=O)OCOC(=O)N(C)N=NC1=CC=C(C=C1)C(=O)OCC

DOS

IR

Vibrations