Geometry & MOs

Info

ID:	422342
PubChem CID:	135117668
Reduced:	ON3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	49.79
Dipole, Da:	5.46
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide

Drug info:

PubChemData

Smile

CNC(=O)C1=NOC(=N1)CN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations