Geometry & MOs

Info

ID:	327868
PubChem CID:	126691185
Reduced:	OF3N3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	392.303893
ΔH_f, kcal/mol:	-169.73
Dipole, Da:	4.67
IP(EA), eV:	-8.73(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6R)-N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[ethyl(propan-2-yl)amino]propyl]-6-methyloxan-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)NC2=C3C=C(C=CC3=NC=C2N)C(F)(F)F

DOS

IR

Vibrations