Geometry & MOs

Info

ID:	289280
PubChem CID:	104343762
Reduced:	ClO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-28.97
Dipole, Da:	3.37
IP(EA), eV:	-9.26(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-6-(3-methylbutoxy)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)COC)OCC2=CC=CC=C2Cl

DOS

IR

Vibrations