Geometry & MOs

Info

ID:	262130
PubChem CID:	103271997
Reduced:	O2N5C11H13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	20.21
Dipole, Da:	4.72
IP(EA), eV:	-9.16(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-propylphenyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN=C3N2NC(=C3)C(=O)O

DOS

IR

Vibrations