Geometry & MOs

Info

ID:	289250
PubChem CID:	104341738
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	293.131031
ΔH_f, kcal/mol:	-30.13
Dipole, Da:	5.51
IP(EA), eV:	-8.65(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1(CCCN1C2=NC(=NC(=C2)N)COC)C

DOS

IR

Vibrations