Geometry & MOs

Info

ID:	230454
PubChem CID:	87570933
Reduced:	O8C19H28 (1)
Stoich.:	A8B19C28 (1)
Weight, g/mol:	283.067859
ΔH_f, kcal/mol:	-318.72
Dipole, Da:	3.34
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[3-(2,6-dinitroanilino)propyl]carbamate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C(OCC(CO)O)OC1=C(C=C(C=C1)C=O)OC

DOS

IR

Vibrations