Geometry & MOs

Info

ID:	231101
PubChem CID:	87572642
Reduced:	ClIO2N3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	250.000741
ΔH_f, kcal/mol:	36.5
Dipole, Da:	4.5
IP(EA), eV:	-8.88(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxybutyl phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1C=CC=C2N1C(N(C(C2=O)I)O)CC3=CN=C(C=C3)Cl

DOS

IR

Vibrations