Geometry & MOs

Info

ID:	73348
PubChem CID:	48417487
Reduced:	OCl2N4H10C13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	322.117824
ΔH_f, kcal/mol:	33.13
Dipole, Da:	4.47
IP(EA), eV:	-9.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)CCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations