Geometry & MOs

Info

ID:	58916
PubChem CID:	24716159
Reduced:	NO2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	332.09277
ΔH_f, kcal/mol:	-106.75
Dipole, Da:	1.21
IP(EA), eV:	-8.62(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-2-methylphenyl)-4-(furan-2-carbonyl)-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)N(CCN1C(=O)C2CC2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations