Geometry & MOs

Info

ID:	255716
PubChem CID:	103134223
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	273.001513
ΔH_f, kcal/mol:	-41.98
Dipole, Da:	4.39
IP(EA), eV:	-9.17(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chlorothiophen-2-yl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CC1CCC(O1)CN(CC#N)C2CCCC2

DOS

IR

Vibrations