Geometry & MOs

Info

ID:	148998
PubChem CID:	53788669
Reduced:	NO5H23C25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	223.06096
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	3.47
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[but-2-enoyl(hydroxy)amino]propylphosphonic acid

Drug info:

PubChemData

Smile

CCCC(=O)OC1=CC=C(C=C1)C(C)CC(=O)OC2=CC3=C(C=C2)C4=NOC=C4C=C3

DOS

IR

Vibrations