Geometry & MOs

Info

ID:	241232
PubChem CID:	96022157
Reduced:	NF2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	291.107085
ΔH_f, kcal/mol:	-146.48
Dipole, Da:	3.14
IP(EA), eV:	-9.37(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)C3(CC3)C(=O)O

DOS

IR

Vibrations