Geometry & MOs

Info

ID:	434614
PubChem CID:	135175352
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	404.387898
ΔH_f, kcal/mol:	-79.02
Dipole, Da:	4.31
IP(EA), eV:	-8.79(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(4-methylpiperidin-1-yl)methyl]-2-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine

Drug info:

PubChemData

Smile

CCC(=O)C1=CC2=C(O1)C=CC(=C2)OCCNCC

DOS

IR

Vibrations