Geometry & MOs

Info

ID:	241253
PubChem CID:	96022245
Reduced:	NSF2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	289.12782
ΔH_f, kcal/mol:	-51.68
Dipole, Da:	2.29
IP(EA), eV:	-9.19(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-difluoro-1-(2-phenoxyethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)CC3=CC=CS3

DOS

IR

Vibrations