Geometry & MOs

Info

ID:	121695
PubChem CID:	50777965
Reduced:	O3N5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-29.36
Dipole, Da:	4.24
IP(EA), eV:	-8.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C5=NOC(=N5)C)C

DOS

IR

Vibrations