Geometry & MOs

Info

ID:	333779
PubChem CID:	127252331
Reduced:	ON4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	-28.28
Dipole, Da:	3.86
IP(EA), eV:	-8.38(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-methylpyrimidin-4-yl)methyl]-4-pyrimidin-2-yl-1,4-oxazepane

Drug info:

PubChemData

Smile

CNC1=NC=NC(=C1)CC2CN(CCOC2)C3CCCCC3

DOS

IR

Vibrations