Geometry & MOs

Info

ID:	256415
PubChem CID:	103139110
Reduced:	NOF2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	257.177964
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	2.95
IP(EA), eV:	-9.25(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-isoquinolin-8-ylhexan-1-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=C(C=CC=C3F)F)O

DOS

IR

Vibrations