Geometry & MOs

Info

ID:	153569
PubChem CID:	56312818
Reduced:	FO3N4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	425.206304
ΔH_f, kcal/mol:	-94.95
Dipole, Da:	2.88
IP(EA), eV:	-9.03(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations