Geometry & MOs

Info

ID:	241208
PubChem CID:	96021959
Reduced:	ClNF2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	237.132906
ΔH_f, kcal/mol:	-65.94
Dipole, Da:	3.71
IP(EA), eV:	-9.14(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-cyclopentyl-6,8-difluoro-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