Geometry & MOs

Info

ID:	256718
PubChem CID:	103140918
Reduced:	S2N4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	303.06226
ΔH_f, kcal/mol:	111.92
Dipole, Da:	3.82
IP(EA), eV:	-8.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-bromocycloheptyl)isoquinoline

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CC3=C(S2)C=CS3)NN

DOS

IR

Vibrations