Geometry & MOs

Info

ID:	60845
PubChem CID:	26702600
Reduced:	N3O3H17C23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	380.100836
ΔH_f, kcal/mol:	6.98
Dipole, Da:	3.24
IP(EA), eV:	-8.72(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-(4-pyrazol-1-ylbenzoyl)oxybenzene-1,3-dicarboxylate

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

DOS

IR

Vibrations