Geometry & MOs

Info

ID:	241440
PubChem CID:	96023413
Reduced:	FNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	207.105942
ΔH_f, kcal/mol:	-52.64
Dipole, Da:	2.97
IP(EA), eV:	-8.89(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CC1[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations