Geometry & MOs

Info

ID:	312452
PubChem CID:	126605355
Reduced:	BrNSO2C7H8 (1)
Stoich.:	ABCD2E7F8 (1)
Weight, g/mol:	260.092594
ΔH_f, kcal/mol:	-52.14
Dipole, Da:	0.52
IP(EA), eV:	-9.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-diethoxyphosphanylpyrazol-1-yl)propanoic acid

Drug info:

PubChemData

Smile

COC(=O)CCC1=NC=C(S1)Br

DOS

IR

Vibrations