Geometry & MOs

Info

ID:	241132
PubChem CID:	96021422
Reduced:	BrNC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	253.04661
ΔH_f, kcal/mol:	-16.77
Dipole, Da:	4.24
IP(EA), eV:	-8.07(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R)-1-bromoethyl]-8-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