Geometry & MOs

Info

ID:	165564
PubChem CID:	74568061
Reduced:	ON2C16H24 (2)
Stoich.:	AB2C16D24 (2)
Weight, g/mol:	356.233802
ΔH_f, kcal/mol:	-56.16
Dipole, Da:	4.42
IP(EA), eV:	-8.35(0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Drug info:

PubChemData

Smile

CCN(CCN(C)C)C(=O)CCC1CN(CCC1N2CCOCC2)CC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations