Geometry & MOs

Info

ID:	241279
PubChem CID:	96022315
Reduced:	NF3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	293.078283
ΔH_f, kcal/mol:	-106.25
Dipole, Da:	3.95
IP(EA), eV:	-9.21(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-chloro-2-methylphenyl)-6,8-difluoro-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