Geometry & MOs

Info

ID:	284371
PubChem CID:	104046039
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-65.26
Dipole, Da:	1.84
IP(EA), eV:	-8.96(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-dimethyloxan-4-yl)oxy-N-ethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)OC2=NC(=NC(=C2C)NC)C3CC3

DOS

IR

Vibrations