Geometry & MOs

Info

ID:	147635
PubChem CID:	53787291
Reduced:	O5C23H34 (1)
Stoich.:	A5B23C34 (1)
Weight, g/mol:	180.01876
ΔH_f, kcal/mol:	-205.95
Dipole, Da:	1.52
IP(EA), eV:	-10.08(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[hydroxy(methoxy)phosphoryl]but-2-enoic acid

Drug info:

PubChemData

Smile

CCCC1(CCC1)C(CC#C[C@H]2[C@@H](CC(=O)[C@@H]2CC=CCCCC(=O)O)O)O

DOS

IR

Vibrations