Geometry & MOs

Info

ID:	241340
PubChem CID:	96023236
Reduced:	FNOC18H26 (1)
Stoich.:	ABCD18E26 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	-106.03
Dipole, Da:	3.57
IP(EA), eV:	-8.98(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-(imidazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)[C@@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations