Geometry & MOs

Info

ID:	241280
PubChem CID:	96022319
Reduced:	ClNF2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	289.12782
ΔH_f, kcal/mol:	-69.15
Dipole, Da:	2.63
IP(EA), eV:	-9.22(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-difluoro-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)[C@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations