Geometry & MOs

Info

ID:	259529
PubChem CID:	103167381
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-29.61
Dipole, Da:	2.7
IP(EA), eV:	-10.92(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxycyclobutyl)-3-(6-methoxypyrimidin-4-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(CN1C(=NN=N1)CC2CCC2)C(=O)O

DOS

IR

Vibrations