Geometry & MOs

Info

ID:	336371
PubChem CID:	127255378
Reduced:	BrNO3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	338.152783
ΔH_f, kcal/mol:	-90.21
Dipole, Da:	0.78
IP(EA), eV:	-9.26(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;hydrate;dihydrochloride

Drug info:

PubChemData

Smile

C1CN(CCC1COC2=CC(=CC=C2)Br)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations