Geometry & MOs

Info

ID:	367095
PubChem CID:	127323148
Reduced:	O2N6C19H28 (1)
Stoich.:	A2B6C19D28 (1)
Weight, g/mol:	367.166269
ΔH_f, kcal/mol:	-13.63
Dipole, Da:	3.3
IP(EA), eV:	-8.7(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-cyclobutylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CN3CCN(CC3)C4CCC4)C#N

DOS

IR

Vibrations