Geometry & MOs

Info

ID:	241281
PubChem CID:	96022321
Reduced:	NOF2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	291.123484
ΔH_f, kcal/mol:	-99.01
Dipole, Da:	3.8
IP(EA), eV:	-8.63(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,8-difluoro-1-[(5-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations