Geometry & MOs

Info

ID:	241278
PubChem CID:	96022314
Reduced:	NF3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	277.107834
ΔH_f, kcal/mol:	-103.43
Dipole, Da:	2.25
IP(EA), eV:	-9.22(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-difluoro-1-(2-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)[C@@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations