Geometry & MOs

Info

ID:	26423
PubChem CID:	647320
Reduced:	FSO3N4C22H25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-114.69
Dipole, Da:	4.42
IP(EA), eV:	-8.31(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpiperidin-4-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations