Geometry & MOs

Info

ID:	130719
PubChem CID:	51095839
Reduced:	ON7H15C18 (1)
Stoich.:	AB7C15D18 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	139.91
Dipole, Da:	9.46
IP(EA), eV:	-9.65(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=CC(=CC=C2)N3C=NN=N3)N4C=CC=N4

DOS

IR

Vibrations