Geometry & MOs

Info

ID:	20777
PubChem CID:	585647
Reduced:	ClC22H25 (1)
Stoich.:	AB22C25 (1)
Weight, g/mol:	324.164478
ΔH_f, kcal/mol:	43.03
Dipole, Da:	2.62
IP(EA), eV:	-9.37(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-chloro-2-methyl-2-phenylcyclopropyl)ethynyl]adamantane

Drug info:

PubChemData

Smile

CC1(CC1(C#CC23CC4CC(C2)CC(C4)C3)Cl)C5=CC=CC=C5

DOS

IR

Vibrations