Geometry & MOs

Info

ID:	413706
PubChem CID:	135086656
Reduced:	ON2H4C5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	231.046633
ΔH_f, kcal/mol:	22.25
Dipole, Da:	3.48
IP(EA), eV:	-10.1(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-phenylsulfanylpyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

C1=CN=C(C=N1)C(C(=O)C2=NC=CN=C2)O

DOS

IR

Vibrations