Geometry & MOs

Info

ID:	51524
PubChem CID:	12014206
Reduced:	NOSH11C12 (2)
Stoich.:	ABCD11E12 (2)
Weight, g/mol:	204.070578
ΔH_f, kcal/mol:	17.14
Dipole, Da:	4.52
IP(EA), eV:	-8.56(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8R,9S,11R)-9-chloro-11-ethenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=NC2=CC=CC=C2S)CC(=NC3=CC=CC=C3S)C(=O)OC

DOS

IR

Vibrations