Geometry & MOs

Info

ID:	241275
PubChem CID:	96022306
Reduced:	NF5H10C15 (1)
Stoich.:	AB5C10D15 (1)
Weight, g/mol:	289.12782
ΔH_f, kcal/mol:	-183.05
Dipole, Da:	2.79
IP(EA), eV:	-9.41(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,8-difluoro-1-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)C3=C(C=CC(=C3F)F)F

DOS

IR

Vibrations