Geometry & MOs

Info

ID:	22512
PubChem CID:	597399
Reduced:	ClC18H19 (1)
Stoich.:	AB18C19 (1)
Weight, g/mol:	270.117528
ΔH_f, kcal/mol:	73.47
Dipole, Da:	2.41
IP(EA), eV:	-9.35(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-chloro-2-phenylcyclopropyl)ethynyl]bicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1CC2CC1CC2C#CC3(CC3C4=CC=CC=C4)Cl

DOS

IR

Vibrations