Geometry & MOs

Info

ID:	241197
PubChem CID:	96021892
Reduced:	NOF2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	235.117256
ΔH_f, kcal/mol:	-132.93
Dipole, Da:	3.69
IP(EA), eV:	-9.2(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-cyclopent-3-en-1-yl-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC(C)(CO)[C@@H]1C2=C(CCN1)C=C(C=C2F)F

DOS

IR

Vibrations