Geometry & MOs

Info

ID:	80
PubChem CID:	2088
Reduced:	NP2C4O7H13 (1)
Stoich.:	AB2C4D7E13 (1)
Weight, g/mol:	249.016726
ΔH_f, kcal/mol:	-423.03
Dipole, Da:	4.96
IP(EA), eV:	-9.71(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid

Drug info:

PubChemData

Smile

C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN

DOS

IR

Vibrations