Geometry & MOs

Info

ID:	241269
PubChem CID:	96022294
Reduced:	BrNF2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	289.02777
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	4.57
IP(EA), eV:	-9.45(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1R)-1-bromopropyl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations