Geometry & MOs

Info

ID:	241222
PubChem CID:	96022111
Reduced:	NOF3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	237.132906
ΔH_f, kcal/mol:	-142.45
Dipole, Da:	2.81
IP(EA), eV:	-9.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1S)-2,2-dimethylcyclopropyl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)[C@@H](C3=CC=CC=C3F)O

DOS

IR

Vibrations