Geometry & MOs

Info

ID:	419081
PubChem CID:	135107451
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	430.188402
ΔH_f, kcal/mol:	-63.98
Dipole, Da:	4.86
IP(EA), eV:	-9.47(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=NC=CNC3=O

DOS

IR

Vibrations