Geometry & MOs

Info

ID:	241172
PubChem CID:	96021691
Reduced:	FN2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	286.111756
ΔH_f, kcal/mol:	17.77
Dipole, Da:	6.27
IP(EA), eV:	-9.38(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3-fluoro-5-nitrophenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H](NCC2)C3=CC(=CC(=C3)C#N)F

DOS

IR

Vibrations