Geometry & MOs

Info

ID:	241271
PubChem CID:	96022297
Reduced:	NF4H11C15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	280.13872
ΔH_f, kcal/mol:	-139.84
Dipole, Da:	3.07
IP(EA), eV:	-9.39(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[(1R)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations