Geometry & MOs

Info

ID:	241131
PubChem CID:	96021421
Reduced:	BrNC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	267.06226
ΔH_f, kcal/mol:	-7.52
Dipole, Da:	3.75
IP(EA), eV:	-9.09(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H](NCC2)C(C)(C)Br

DOS

IR

Vibrations