Geometry & MOs

Info

ID:	129894
PubChem CID:	51074196
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	-44.56
Dipole, Da:	2.53
IP(EA), eV:	-9.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CN2CCN(CC2)C(=O)CN3C=CC=CC3=O

DOS

IR

Vibrations