Geometry & MOs

Info

ID:	307769
PubChem CID:	125309024
Reduced:	SN3H7C8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	86.57
Dipole, Da:	3.24
IP(EA), eV:	-8.89(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-2,5-dimethyl-6H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)C(=S)N)N=N1

DOS

IR

Vibrations