Geometry & MOs

Info

ID:	430130
PubChem CID:	135170191
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	0.49
Dipole, Da:	3.99
IP(EA), eV:	-8.05(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[ethenyl(methylamino)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CCCCN3)C(=N2)C4CC4)ON5CCCC5

DOS

IR

Vibrations