Geometry & MOs

Info

ID:	435304
PubChem CID:	135188671
Reduced:	INOSC5H6 (1)
Stoich.:	ABCDE5F6 (1)
Weight, g/mol:	369.227709
ΔH_f, kcal/mol:	18.93
Dipole, Da:	3.57
IP(EA), eV:	-9.32(-2.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(2-ethyl-5-methylmorpholin-4-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CC1(COSI)C#N

DOS

IR

Vibrations