Geometry & MOs

Info

ID:	201511
PubChem CID:	79549639
Reduced:	NCl2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-108.29
Dipole, Da:	5.78
IP(EA), eV:	-9.54(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methoxymethyl)-N-(1-piperidin-2-ylpropan-2-yl)aniline

Drug info:

PubChemData

Smile

CC(CC1CCCCN1C(=O)C2=C(C=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations