Geometry & MOs

Info

ID:	290052
PubChem CID:	104404084
Reduced:	ON5C15H27 (1)
Stoich.:	AB5C15D27 (1)
Weight, g/mol:	295.200825
ΔH_f, kcal/mol:	-60.86
Dipole, Da:	4.93
IP(EA), eV:	-8.55(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

CCCNC1=NC(=CC(=N1)NC(C)C(=O)NC(C)(C)C)C

DOS

IR

Vibrations