Geometry & MOs

Info

ID:	255689
PubChem CID:	103134026
Reduced:	ClNOH12C17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	26.6
Dipole, Da:	4.42
IP(EA), eV:	-9.49(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(2-methyloxolan-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations