Geometry & MOs

Info

ID:	255696
PubChem CID:	103134053
Reduced:	ClNOH12C17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	269.06522
ΔH_f, kcal/mol:	27.73
Dipole, Da:	4.5
IP(EA), eV:	-9.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-difluorophenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations