Geometry & MOs

Info

ID:	256399
PubChem CID:	103139006
Reduced:	NOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	287.05132
ΔH_f, kcal/mol:	-69.06
Dipole, Da:	2.34
IP(EA), eV:	-8.79(2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-fluorophenyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CCCNCC(C)(CC1CCC(O1)C)C2CC2

DOS

IR

Vibrations