Geometry & MOs

Info

ID:	255690
PubChem CID:	103134027
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	328.98515
ΔH_f, kcal/mol:	-35.95
Dipole, Da:	4.36
IP(EA), eV:	-9.28(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-3-fluorophenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CC1(CCCO1)C(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations