Geometry & MOs

Info

ID:	387839
PubChem CID:	134987094
Reduced:	NC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	225.011205
ΔH_f, kcal/mol:	65.26
Dipole, Da:	1.03
IP(EA), eV:	-9.6(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dichloro-4-ethylisoquinoline

Drug info:

PubChemData

Smile

CC/C=C\C1=NC2=CC=CC=C2N=C1

DOS

IR

Vibrations