Geometry & MOs

Info

ID:	210302
PubChem CID:	80786947
Reduced:	O2N7C10H17 (1)
Stoich.:	A2B7C10D17 (1)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	-45.51
Dipole, Da:	3.53
IP(EA), eV:	-9.4(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)N)NC1=NC(=NC(=N1)N)N2CCOCC2

DOS

IR

Vibrations