Geometry & MOs

Info

ID:	384162
PubChem CID:	134976462
Reduced:	O2H18C25 (1)
Stoich.:	A2B18C25 (1)
Weight, g/mol:	196.052429
ΔH_f, kcal/mol:	38.63
Dipole, Da:	4.69
IP(EA), eV:	-9.17(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(2-phenylethynyl)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=C(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations