Geometry & MOs

Info

ID:	348034
PubChem CID:	127273096
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	384.183127
ΔH_f, kcal/mol:	-86.25
Dipole, Da:	1.36
IP(EA), eV:	-8.93(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCN(CC2)C(C)C(=O)NCC3CCCO3

DOS

IR

Vibrations