Geometry & MOs

Info

ID:	71011
PubChem CID:	48414176
Reduced:	OCl2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-18.15
Dipole, Da:	0.96
IP(EA), eV:	-9.54(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations