Geometry & MOs

Info

ID:	210650
PubChem CID:	80834615
Reduced:	ON6C14H24 (1)
Stoich.:	AB6C14D24 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-5.71
Dipole, Da:	1.87
IP(EA), eV:	-8.8(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=NC(=N1)N2CC3CCC(C2)O3)NC

DOS

IR

Vibrations