Geometry & MOs

Info

ID:	372799
PubChem CID:	131304979
Reduced:	ISO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	212.081044
ΔH_f, kcal/mol:	-33.29
Dipole, Da:	2.1
IP(EA), eV:	-8.52(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpyrimidin-5-yl)amino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC2=CC(=CC(=C2S1)I)OC

DOS

IR

Vibrations