Geometry & MOs

Info

ID:	356549
PubChem CID:	127291771
Reduced:	N3O3C22H37 (1)
Stoich.:	A3B3C22D37 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-142.34
Dipole, Da:	4.05
IP(EA), eV:	-8.8(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OCC(=O)N2CCN(CC2)CC3=NC(=C(O3)C)C)C(C)C

DOS

IR

Vibrations