Geometry & MOs

Info

ID:	333780
PubChem CID:	127252332
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	27.64
Dipole, Da:	1.87
IP(EA), eV:	-8.96(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-imidazol-2-ylmethyl)-6-[(2-methylpyrimidin-4-yl)methyl]-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CC2CN(CCOC2)C3=NC=CC=N3

DOS

IR

Vibrations