Geometry & MOs

Info

ID:	262131
PubChem CID:	103272004
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	-16.4
Dipole, Da:	6.03
IP(EA), eV:	-8.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-(1-methylpyrazol-4-yl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2CCN=C3N2NC(=C3)C(=O)O

DOS

IR

Vibrations