Geometry & MOs

Info

ID:	216767
PubChem CID:	85086744
Reduced:	O2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	300.136159
ΔH_f, kcal/mol:	-103.8
Dipole, Da:	5.52
IP(EA), eV:	-9.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-tert-butyl-3,4-dioxo-2-(2-phenylethenyl)cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CCOC1CCCCO1)C#CC(=O)C2=CC=CC=C2O

DOS

IR

Vibrations