Geometry & MOs

Info

ID:	432361
PubChem CID:	135172494
Reduced:	INO5C19H30 (1)
Stoich.:	ABC5D19E30 (1)
Weight, g/mol:	391.319878
ΔH_f, kcal/mol:	-183.37
Dipole, Da:	4.41
IP(EA), eV:	-8.14(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-ethoxypyridin-3-yl)-4-[2-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxy]pentyl]piperazine

Drug info:

PubChemData

Smile

CC(=O)COCCCOCCCCOCCCOC1=CC=C(C=C1)NI

DOS

IR

Vibrations