Geometry & MOs

Info

ID:	29518
PubChem CID:	834641
Reduced:	N2O3C17H28 (1)
Stoich.:	A2B3C17D28 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-99.03
Dipole, Da:	4.03
IP(EA), eV:	-8.43(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[(2,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CNCC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations