Geometry & MOs

Info

ID:	408587
PubChem CID:	135081354
Reduced:	LiO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	-137.45
Dipole, Da:	7.17
IP(EA), eV:	-7.24(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,4-dimethyl-2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]aniline

Drug info:

PubChemData

Smile

[Li+].CC1(OC2=CC3=C([C-]=C2O1)OC(O3)(C)C)C

DOS

IR

Vibrations