Geometry & MOs

Info

ID:	242017
PubChem CID:	96025100
Reduced:	BrNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	281.07791
ΔH_f, kcal/mol:	-25.09
Dipole, Da:	4.68
IP(EA), eV:	-8.05(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-bromopropan-2-yl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C(C)(C)Br

DOS

IR

Vibrations