Geometry & MOs

Info

ID:	210432
PubChem CID:	80806179
Reduced:	ON5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	225.078123
ΔH_f, kcal/mol:	-21.31
Dipole, Da:	4.55
IP(EA), eV:	-9.1(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-amino-5-chloropyrimidin-4-yl)-ethylamino]propanenitrile

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1N2CCCCC2C(=O)N)N

DOS

IR

Vibrations