Geometry & MOs

Info

ID:	205693
PubChem CID:	80135475
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	10.96
Dipole, Da:	3.63
IP(EA), eV:	-8.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-4-N-(1-methoxybutan-2-yl)pyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2C3=C(C(=NC=N3)OC)N=C2N

DOS

IR

Vibrations