Geometry & MOs

Info

ID:	321696
PubChem CID:	126666810
Reduced:	ClO3N7C18H20 (1)
Stoich.:	AB3C7D18E20 (1)
Weight, g/mol:	266.010912
ΔH_f, kcal/mol:	-28.11
Dipole, Da:	8.29
IP(EA), eV:	-9.08(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethyl-3-phosphonophenyl)phosphonic acid

Drug info:

PubChemData

Smile

CN(CC1=C(N=CC=C1)Cl)C(=O)C2=C3C(=NN2)N=CN=C3N[C@@H]4CC[C@H]([C@H]4O)O

DOS

IR

Vibrations