Geometry & MOs

Info

ID:	124853
PubChem CID:	50899559
Reduced:	ClON4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	282.111676
ΔH_f, kcal/mol:	30.44
Dipole, Da:	3.53
IP(EA), eV:	-8.93(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-amino-2-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=CN=CC(=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations