Geometry & MOs

Info

ID:	387852
PubChem CID:	134987134
Reduced:	NSH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	178.085461
ΔH_f, kcal/mol:	41.64
Dipole, Da:	2.7
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-(2-hydroxyethyl)-2-methylpyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=CN=C3C=CSC3=C2C1

DOS

IR

Vibrations