Geometry & MOs

Info

ID:	62969
PubChem CID:	26737833
Reduced:	ON3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	0.02
Dipole, Da:	5.67
IP(EA), eV:	-8.51(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(N(C(=C3)C)C4CC4)C)C

DOS

IR

Vibrations