Geometry & MOs

Info

ID:	45356
PubChem CID:	10511877
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	-63.14
Dipole, Da:	5.47
IP(EA), eV:	-9.57(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-phenylpent-4-yne-2,3-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC/C=C/C(=O)O

DOS

IR

Vibrations