Geometry & MOs

Info

ID:	210316
PubChem CID:	80788139
Reduced:	N6C15H22 (1)
Stoich.:	A6B15C22 (1)
Weight, g/mol:	287.03817
ΔH_f, kcal/mol:	68.74
Dipole, Da:	3.65
IP(EA), eV:	-8.26(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide

Drug info:

PubChemData

Smile

CCCNC1=CN2C=CN=C2C(=N1)N(CCC#N)C(C)C

DOS

IR

Vibrations