Geometry & MOs

Info

ID:	324525
PubChem CID:	126677817
Reduced:	N7C14H17 (1)
Stoich.:	A7B14C17 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	101.45
Dipole, Da:	2.26
IP(EA), eV:	-8.38(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-hydroxy-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)CC3=CC(=NC(=C3N)NN)N)C=N1

DOS

IR

Vibrations