Geometry & MOs

Info

ID:	204046
PubChem CID:	79905003
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-82.71
Dipole, Da:	4.68
IP(EA), eV:	-8.39(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-methylpyridin-2-yl]methanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)OC2CCOC3(C2)CCSC3)N

DOS

IR

Vibrations