Geometry & MOs

Info

ID:	312169
PubChem CID:	126603440
Reduced:	NO3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	304.063011
ΔH_f, kcal/mol:	-168.58
Dipole, Da:	2.89
IP(EA), eV:	-8.73(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dimethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfinic acid

Drug info:

PubChemData

Smile

CCCC(CCC)N1CCO[C@H](C1)CCC(=O)O

DOS

IR

Vibrations