Geometry & MOs

Info

ID:	56782
PubChem CID:	22389672
Reduced:	ZnN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	241.033485
ΔH_f, kcal/mol:	-32.72
Dipole, Da:	4.7
IP(EA), eV:	-7.98(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[nitro-(2-nitrophenyl)methyl] carbamate

Drug info:

PubChemData

Smile

C1=CN(C2C(=C1)C(=CC=C2O)O)CN3C=CC=C4C3C(=CC=C4O)O.[Zn+2]

DOS

IR

Vibrations