Geometry & MOs

Info

ID:	241196
PubChem CID:	96021885
Reduced:	NF2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	241.127821
ΔH_f, kcal/mol:	-190.99
Dipole, Da:	4.86
IP(EA), eV:	-9.55(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations