Geometry & MOs

Info

ID:	384454
PubChem CID:	134977018
Reduced:	O4C35H46 (1)
Stoich.:	A4B35C46 (1)
Weight, g/mol:	147.984656
ΔH_f, kcal/mol:	-126.37
Dipole, Da:	1.56
IP(EA), eV:	-9.26(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dichloro-3,4-dimethylcyclobuta-1,3-diene

Drug info:

PubChemData

Smile

CC(C)(C)C12C3(C1(C2(O[C@]3(C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations