Geometry & MOs

Info

ID:	68506
PubChem CID:	46508543
Reduced:	N2O6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	392.161518
ΔH_f, kcal/mol:	-107.87
Dipole, Da:	6.62
IP(EA), eV:	-8.7(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

DOS

IR

Vibrations