Geometry & MOs

Info

ID:	241258
PubChem CID:	96022256
Reduced:	NF2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	229.091435
ΔH_f, kcal/mol:	-170.1
Dipole, Da:	2.11
IP(EA), eV:	-9.55(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1R)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)[C@H](CO)O

DOS

IR

Vibrations