Geometry & MOs

Info

ID:	241146
PubChem CID:	96021516
Reduced:	BrNC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	267.06226
ΔH_f, kcal/mol:	-9.44
Dipole, Da:	2.92
IP(EA), eV:	-8.33(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R)-1-bromopropyl]-6-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H]1C2=C(C=CC=C2CCN1)C)Br

DOS

IR

Vibrations