Geometry & MOs

Info

ID:	375079
PubChem CID:	131465809
Reduced:	SN5C8H11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	81.5
Dipole, Da:	3.12
IP(EA), eV:	-8.98(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-oxo-5-propan-2-yl-1H-pyrimidin-2-yl)propanenitrile

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NSC(=N2)C#N)N

DOS

IR

Vibrations