Geometry & MOs

Info

ID:	43197
PubChem CID:	10319446
Reduced:	NO3C26H37 (1)
Stoich.:	AB3C26D37 (1)
Weight, g/mol:	411.054132
ΔH_f, kcal/mol:	-144.83
Dipole, Da:	2.92
IP(EA), eV:	-8.68(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5,7-bis(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC(=C(C=C1)C(=O)N)C)C2=CC(=C(C=C2)OCC(C(C)(C)C)O)C

DOS

IR

Vibrations