Geometry & MOs

Info

ID:	241230
PubChem CID:	96022151
Reduced:	NOF2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	253.091435
ΔH_f, kcal/mol:	-95.25
Dipole, Da:	4.12
IP(EA), eV:	-8.66(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[C@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations