Geometry & MOs

Info

ID:	431613
PubChem CID:	135171701
Reduced:	OC17H18 (1)
Stoich.:	AB17C18 (1)
Weight, g/mol:	300.034193
ΔH_f, kcal/mol:	21.89
Dipole, Da:	5.15
IP(EA), eV:	-8.57(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-20-yne

Drug info:

PubChemData

Smile

CC(=C/C=C(\C)/C#CC1=CC=C(C=C1)C(=O)C)C

DOS

IR

Vibrations