Geometry & MOs

Info

ID:	284346
PubChem CID:	104045280
Reduced:	SO2N3C13H21 (1)
Stoich.:	AB2C3D13E21 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	2.35
IP(EA), eV:	-9.25(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(2,6-dimethyloxan-4-yl)oxymethyl]phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)OC2=NN=C(S2)CNC3CC3

DOS

IR

Vibrations