Geometry & MOs

Info

ID:	285159
PubChem CID:	104098413
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	285.057198
ΔH_f, kcal/mol:	-72.07
Dipole, Da:	4.3
IP(EA), eV:	-9.65(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]isoquinolin-8-amine

Drug info:

PubChemData

Smile

CC(CCC(=O)NC1=C(C=NC=C1)Br)OC

DOS

IR

Vibrations