Geometry & MOs

Info

ID:	344433
PubChem CID:	127267609
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	377.24269
ΔH_f, kcal/mol:	-54.66
Dipole, Da:	3.75
IP(EA), eV:	-9.09(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C1)CC(=O)N2CCN(CC2)CC3=NC(=NO3)C

DOS

IR

Vibrations