Geometry & MOs

Info

ID:	333838
PubChem CID:	127252390
Reduced:	N5C15H21 (1)
Stoich.:	A5B15C21 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	48.74
Dipole, Da:	3.01
IP(EA), eV:	-8.69(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(5-methylpyridin-2-yl)methyl]-4-(6-methylpyrimidin-4-yl)-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCCC(C2)(C)C3=CC=NN3)C

DOS

IR

Vibrations