Geometry & MOs

Info

ID:	412573
PubChem CID:	135085470
Reduced:	O3H12C14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	200.08373
ΔH_f, kcal/mol:	-42.96
Dipole, Da:	2.08
IP(EA), eV:	-9.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylidene-6-phenylhex-5-ynoic acid

Drug info:

PubChemData

Smile

C=CC(C1=CC=CC=C1)OC(=O)C2=CC=CO2

DOS

IR

Vibrations