Geometry & MOs

Info

ID:	241265
PubChem CID:	96022284
Reduced:	NF2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	225.132906
ΔH_f, kcal/mol:	-163.67
Dipole, Da:	4.43
IP(EA), eV:	-9.57(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-tert-butyl-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COCCOC[C@@H]1C2=C(CCN1)C=C(C=C2F)F

DOS

IR

Vibrations