Geometry & MOs

Info

ID:	175800
PubChem CID:	75949505
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	425.150619
ΔH_f, kcal/mol:	-75.03
Dipole, Da:	4.75
IP(EA), eV:	-8.38(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-chlorophenyl)piperazin-1-yl]-4-[2-(2-methoxyphenyl)ethylimino]cyclobutane-1,2-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN=C2C(C(=O)C2=O)NCC3=CC=CO3)OC

DOS

IR

Vibrations