Geometry & MOs

Info

ID:	174680
PubChem CID:	75806056
Reduced:	Cl2O3N4H14C20 (1)
Stoich.:	A2B3C4D14E20 (1)
Weight, g/mol:	401.161366
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	4.6
IP(EA), eV:	-8.94(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[(4-ethylphenyl)carbamoyl]-7-(4-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1C(N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)Cl)N=C1C(=O)O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations