Geometry & MOs

Info

ID:	162449
PubChem CID:	57394691
Reduced:	SO3N5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	436.185903
ΔH_f, kcal/mol:	3.69
Dipole, Da:	9.54
IP(EA), eV:	-8.86(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(2,4-dimethoxyanilino)-1,3,4-oxadiazol-2-yl]methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations