Geometry & MOs

Info

ID:	384366
PubChem CID:	134976859
Reduced:	ClO3C23H39 (1)
Stoich.:	AB3C23D39 (1)
Weight, g/mol:	420.258203
ΔH_f, kcal/mol:	-185.83
Dipole, Da:	4.03
IP(EA), eV:	-9.4(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl-(2,3,4-tritert-butylcyclobuta-1,3-dien-1-yl)phosphoryl]benzene

Drug info:

PubChemData

Smile

CC1(C(=C(C1(C(C)(C)C)Cl)C(C)(C)C)C(C)(C)C)C(=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations