Geometry & MOs

Info

ID:	1478
PubChem CID:	4572
Reduced:	P2N3C9O11H13 (1)
Stoich.:	A2B3C9D11E13 (1)
Weight, g/mol:	401.002532
ΔH_f, kcal/mol:	-436.33
Dipole, Da:	5.33
IP(EA), eV:	-9.85(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dinitroanilino)propyl phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCOP(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations