Geometry & MOs

Info

ID:	210569
PubChem CID:	80823952
Reduced:	O2N5C12H21 (1)
Stoich.:	A2B5C12D21 (1)
Weight, g/mol:	278.185509
ΔH_f, kcal/mol:	-53.89
Dipole, Da:	1.75
IP(EA), eV:	-9.25(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,4-oxazepan-4-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)OCC)N2CCCOCC2

DOS

IR

Vibrations