Geometry & MOs

Info

ID:	58915
PubChem CID:	24715693
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	302.126657
ΔH_f, kcal/mol:	-11.15
Dipole, Da:	7.15
IP(EA), eV:	-8.42(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=NN3CCN(C(=O)C3=C2)CC4CC4)C

DOS

IR

Vibrations