Geometry & MOs

Info

ID:	385828
PubChem CID:	134980091
Reduced:	OC29H46 (1)
Stoich.:	AB29C46 (1)
Weight, g/mol:	332.250401
ΔH_f, kcal/mol:	-68.21
Dipole, Da:	2.06
IP(EA), eV:	-9.04(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,2,3,3-tetramethyl-1-[2-(1,2,2,3,3-pentamethylcyclopropyl)ethynyl]cyclopropyl]ethynylbenzene

Drug info:

PubChemData

Smile

CC1=C(C1C[C@@H](C)C2CCC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)C(C)C

DOS

IR

Vibrations