Geometry & MOs

Info

ID:	423814
PubChem CID:	135120342
Reduced:	ON6C21H24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	58.36
Dipole, Da:	8.38
IP(EA), eV:	-8.62(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methylimidazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(N=CC=C2)N3CCC(CC3)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations