Geometry & MOs

Info

ID:	183695
PubChem CID:	77059057
Reduced:	NSO5C12H17 (1)
Stoich.:	ABC5D12E17 (1)
Weight, g/mol:	203.08071
ΔH_f, kcal/mol:	-193.81
Dipole, Da:	8.51
IP(EA), eV:	-10.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-methylidene-2-(1-methylpyrazol-3-yl)pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CO[C@@H]([C@H]2O)CO

DOS

IR

Vibrations