Geometry & MOs

Info

ID:	289216
PubChem CID:	104340783
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	292.226312
ΔH_f, kcal/mol:	28.2
Dipole, Da:	5.72
IP(EA), eV:	-8.9(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(cyclopropylmethyl)-2-(ethoxymethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COCC)N(CCC#N)C2CC2

DOS

IR

Vibrations