Geometry & MOs

Info

ID:	406835
PubChem CID:	135078740
Reduced:	ClO3C24H25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	321.17625
ΔH_f, kcal/mol:	-43.39
Dipole, Da:	2.67
IP(EA), eV:	-8.99(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC(C)(C#C)C1=C(C=CC(=C1)Cl)OC/C=C/C2=CC=CC=C2

DOS

IR

Vibrations