Geometry & MOs

Info

ID:	384312
PubChem CID:	134976743
Reduced:	NPO6Cl8H20C34 (1)
Stoich.:	ABC6D8E20F34 (1)
Weight, g/mol:	828.890004
ΔH_f, kcal/mol:	-156.64
Dipole, Da:	3.18
IP(EA), eV:	-7.31(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[NH2+]C.C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)O[P-]67(O3)(OC8=C(O6)C(=C(C(=C8Cl)Cl)Cl)Cl)OC9=C(O7)C(=C(C(=C9Cl)Cl)Cl)Cl

DOS

IR

Vibrations