Geometry & MOs

Info

ID:	210382
PubChem CID:	80798008
Reduced:	O3N5C10H17 (1)
Stoich.:	A3B5C10D17 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-86.18
Dipole, Da:	1.07
IP(EA), eV:	-9.32(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1,4-dioxan-2-ylmethyl)-5-ethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=N1)NCC2COCCO2)N

DOS

IR

Vibrations