Geometry & MOs

Info

ID:	344459
PubChem CID:	127267635
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-3.86
Dipole, Da:	4.27
IP(EA), eV:	-9.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3=CC=CC4=C3CCC4

DOS

IR

Vibrations