Geometry & MOs

Info

ID:	355634
PubChem CID:	127289392
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-70.72
Dipole, Da:	4.94
IP(EA), eV:	-8.89(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations