Geometry & MOs

Info

ID:	49100
PubChem CID:	11528710
Reduced:	PO4C10H13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	228.076199
ΔH_f, kcal/mol:	-192.29
Dipole, Da:	4.73
IP(EA), eV:	-9.68(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[4-(trifluoromethyl)phenyl]but-3-yn-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CP(O)O)C(=O)O

DOS

IR

Vibrations