Geometry & MOs

Info

ID:	448433
PubChem CID:	135290864
Reduced:	SN3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	26.52
Dipole, Da:	2.64
IP(EA), eV:	-8.29(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCSC1=NNC(=C1)N

DOS

IR

Vibrations