Geometry & MOs

Info

ID:	368488
PubChem CID:	127329106
Reduced:	ClN2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-171.99
Dipole, Da:	4.59
IP(EA), eV:	-9.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxan-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)COC3CCOCC3

DOS

IR

Vibrations