Geometry & MOs

Info

ID:	257167
PubChem CID:	103144151
Reduced:	NOC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	20.15
Dipole, Da:	2.04
IP(EA), eV:	-8.81(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-ylhexan-3-one

Drug info:

PubChemData

Smile

C1CC1OC2=CC=C(C=C2)C3=CC=CC4=C3CNCC4

DOS

IR

Vibrations