Geometry & MOs

Info

ID:	280128
PubChem CID:	103847075
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	278.00548
ΔH_f, kcal/mol:	-12.78
Dipole, Da:	2.8
IP(EA), eV:	-8.64(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromoisoquinolin-1-yl)azetidin-3-ol

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1)N2CCC(C2)N3CCCC3)N

DOS

IR

Vibrations