Geometry & MOs

Info

ID:	256715
PubChem CID:	103140903
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	263.03096
ΔH_f, kcal/mol:	-25.3
Dipole, Da:	3.7
IP(EA), eV:	-8.31(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-bromobutyl)isoquinoline

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C(=C(C=C2)OC)OC)OC)NN

DOS

IR

Vibrations