Geometry & MOs

Info

ID:	241148
PubChem CID:	96021523
Reduced:	BrNC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	259.117256
ΔH_f, kcal/mol:	-3.45
Dipole, Da:	3.08
IP(EA), eV:	-9.0(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,3-difluorophenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations