Geometry & MOs

Info

ID:	338190
PubChem CID:	127258882
Reduced:	BrN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	231.102607
ΔH_f, kcal/mol:	-95.98
Dipole, Da:	4.38
IP(EA), eV:	-9.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

C[C@H](C1=CN=C(C=C1)Br)NC(=O)OC(C)(C)C

DOS

IR

Vibrations