Geometry & MOs

Info

ID:	405834
PubChem CID:	135075595
Reduced:	INH8C10 (1)
Stoich.:	ABC8D10 (1)
Weight, g/mol:	234.102096
ΔH_f, kcal/mol:	76.31
Dipole, Da:	4.3
IP(EA), eV:	-9.57(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-di(propan-2-yloxy)phosphorylbut-3-yn-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/CI)C#N

DOS

IR

Vibrations