Geometry & MOs

Info

ID:	175048
PubChem CID:	75849945
Reduced:	FNOS2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-98.87
Dipole, Da:	4.01
IP(EA), eV:	-8.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethoxyethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCCSC(C)C(=O)NC1CCSC2=C1C=C(C=C2)F

DOS

IR

Vibrations