Geometry & MOs

Info

ID:	149310
PubChem CID:	53788982
Reduced:	BrN2O3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	212.00859
ΔH_f, kcal/mol:	-100.6
Dipole, Da:	3.23
IP(EA), eV:	-8.3(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-4-oxo-3-phosphonobutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3CBr

DOS

IR

Vibrations