Geometry & MOs

Info

ID:	241233
PubChem CID:	96022159
Reduced:	NF2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	291.107085
ΔH_f, kcal/mol:	-139.75
Dipole, Da:	2.22
IP(EA), eV:	-9.0(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(R)-[(1R)-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)[C@@H](C3=CC=C(C=C3)O)O

DOS

IR

Vibrations