Geometry & MOs

Info

ID:	241276
PubChem CID:	96022308
Reduced:	NOF2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	293.078283
ΔH_f, kcal/mol:	-97.06
Dipole, Da:	3.65
IP(EA), eV:	-8.61(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations