Geometry & MOs

Info

ID:	220720
PubChem CID:	85230714
Reduced:	OC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-141.4
Dipole, Da:	5.83
IP(EA), eV:	-9.79(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-6-phenylhex-5-ynoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C=CC(=O)O)OC(=O)C

DOS

IR

Vibrations