Geometry & MOs

Info

ID:	289176
PubChem CID:	104338745
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	3.29
IP(EA), eV:	-8.92(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-4-N,4-N-diethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=NC(=NC(=C2)NC)COC

DOS

IR

Vibrations