Geometry & MOs

Info

ID:	399873
PubChem CID:	135043380
Reduced:	O2C8H11 (1)
Stoich.:	A2B8C11 (1)
Weight, g/mol:	262.076057
ΔH_f, kcal/mol:	-56.61
Dipole, Da:	2.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758620
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-1-phenylnon-3-yne-1,2-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C[OH2+])O

DOS

IR

Vibrations