Geometry & MOs

Info

ID:	241191
PubChem CID:	96021850
Reduced:	F2N2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	286.128155
ΔH_f, kcal/mol:	-31.7
Dipole, Da:	3.95
IP(EA), eV:	-8.38(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2R)-2,3-dihydro-1H-indol-2-yl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations