Geometry & MOs

Info

ID:	241255
PubChem CID:	96022251
Reduced:	NF2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	289.02777
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	2.82
IP(EA), eV:	-9.25(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-bromopropan-2-yl)-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations