Geometry & MOs

Info

ID:	124292
PubChem CID:	50877079
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	169.042216
ΔH_f, kcal/mol:	-46.39
Dipole, Da:	5.55
IP(EA), eV:	-8.86(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1,2,4,5-tetrahydropyrazolo[3,4-d]pyrimidine-6-thione

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC2=CC=CC=C2N1)CCO

DOS

IR

Vibrations