Geometry & MOs

Info

ID:	242016
PubChem CID:	96025098
Reduced:	BrNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	281.07791
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	2.81
IP(EA), eV:	-8.8(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C(C)(C)Br)C=C1)C

DOS

IR

Vibrations