Geometry & MOs

Info

ID:	266025
PubChem CID:	103557884
Reduced:	Cl2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	298.200491
ΔH_f, kcal/mol:	-125.99
Dipole, Da:	3.34
IP(EA), eV:	-8.99(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-2-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanimidamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(CC2(CCC2)OC)Cl)OC)Cl

DOS

IR

Vibrations