Geometry & MOs

Info

ID:	241198
PubChem CID:	96021904
Reduced:	NF2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	253.127821
ΔH_f, kcal/mol:	-62.07
Dipole, Da:	1.99
IP(EA), eV:	-9.1(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,8-difluoro-1-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)C3CC=CC3

DOS

IR

Vibrations