Geometry & MOs

Info

ID:	372407
PubChem CID:	131297148
Reduced:	FSN3H4C5 (1)
Stoich.:	ABC3D4E5 (1)
Weight, g/mol:	178.085461
ΔH_f, kcal/mol:	19.78
Dipole, Da:	4.43
IP(EA), eV:	-9.36(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(2-methoxy-4-methylpyrimidin-5-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=C(N=C(S1)N)C(C#N)F

DOS

IR

Vibrations