Geometry & MOs

Info

ID:	19593
PubChem CID:	568664
Reduced:	N3O6H13C16 (1)
Stoich.:	A3B6C13D16 (1)
Weight, g/mol:	343.080435
ΔH_f, kcal/mol:	-72.22
Dipole, Da:	5.72
IP(EA), eV:	-9.87(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-2-oxoethyl) 4-[(4-nitrophenyl)diazenyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)COC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations