Geometry & MOs

Info

ID:	339774
PubChem CID:	127261783
Reduced:	NO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	233.05105
ΔH_f, kcal/mol:	-173.66
Dipole, Da:	4.04
IP(EA), eV:	-8.89(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-methylsulfonylethenyl]isoquinoline

Drug info:

PubChemData

Smile

CN1CCCC(C1)OC2=CC(=CC=C2)OC(=O)C(=O)O

DOS

IR

Vibrations