Geometry & MOs

Info

ID:	304568
PubChem CID:	124756312
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	-22.35
Dipole, Da:	3.44
IP(EA), eV:	-8.79(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-1-[(4-methylphenyl)methyl]-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NCCCC1=NC2=CC=CC=C2N1C)N3CCCC3

DOS

IR

Vibrations