Geometry & MOs

Info

ID:	133797
PubChem CID:	51589852
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	304.238888
ΔH_f, kcal/mol:	-174.54
Dipole, Da:	7.2
IP(EA), eV:	-9.63(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpiperazin-1-ium

Drug info:

PubChemData

Smile

C/C(=C\1/C(=O)NC(=O)N(C1=O)C2CCCCC2)/N[C@H]3CCCC[C@@H]3N

DOS

IR

Vibrations