Geometry & MOs

Info

ID:	252769
PubChem CID:	103113989
Reduced:	ClON6C12H21 (1)
Stoich.:	ABC6D12E21 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	-19.36
Dipole, Da:	4.58
IP(EA), eV:	-9.33(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations