Geometry & MOs

Info

ID:	241321
PubChem CID:	96022724
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	285.116507
ΔH_f, kcal/mol:	-89.26
Dipole, Da:	2.5
IP(EA), eV:	-8.87(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-[(E)-2-(3-hydroxyphenyl)ethenyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

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C1CN[C@@H](C2=CC(=C(C=C21)F)O)[C@H](CO)C3=CC=CC=C3

DOS

IR

Vibrations