Geometry & MOs

Info

ID:	60844
PubChem CID:	26702599
Reduced:	ClN3O3H16C23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	383.126991
ΔH_f, kcal/mol:	-1.94
Dipole, Da:	2.48
IP(EA), eV:	-8.74(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 4-pyrazol-1-ylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=N4)Cl

DOS

IR

Vibrations