Geometry & MOs

Info

ID:	255687
PubChem CID:	103134005
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	316.951
ΔH_f, kcal/mol:	-48.27
Dipole, Da:	3.46
IP(EA), eV:	-9.42(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-3-yl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

C1CCOC(C1)CCC(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations