Geometry & MOs

Info

ID:	384172
PubChem CID:	134976476
Reduced:	O3C34H46 (1)
Stoich.:	A3B34C46 (1)
Weight, g/mol:	202.169745
ΔH_f, kcal/mol:	-114.94
Dipole, Da:	1.99
IP(EA), eV:	-8.38(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1-but-3-enyl-2,3,4,5-tetramethylcyclopentane

Drug info:

PubChemData

Smile

CC(C)(C)C1=C([C@@]2([C@]1(C(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations