Geometry & MOs

Info

ID:	255679
PubChem CID:	103133959
Reduced:	FNOH12C17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	273.001513
ΔH_f, kcal/mol:	-12.0
Dipole, Da:	6.14
IP(EA), eV:	-9.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorothiophen-2-yl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations