Geometry & MOs

Info

ID:	241221
PubChem CID:	96022106
Reduced:	F2O2N3H11C14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	293.102749
ΔH_f, kcal/mol:	-42.78
Dipole, Da:	6.97
IP(EA), eV:	-9.79(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)C3=NC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations