Geometry & MOs

Info

ID:	445386
PubChem CID:	135266683
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	460.222289
ΔH_f, kcal/mol:	-56.25
Dipole, Da:	7.7
IP(EA), eV:	-9.19(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5R)-3-[(5-ethoxypyrazin-2-yl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCCCC(C)(CCCOC(=O)C)CN1C=NC2=C1C=C(C=C2)C#N

DOS

IR

Vibrations