Geometry & MOs

Info

ID:	204018
PubChem CID:	79901436
Reduced:	NSO3C16H29 (1)
Stoich.:	ABC3D16E29 (1)
Weight, g/mol:	297.230394
ΔH_f, kcal/mol:	-173.52
Dipole, Da:	5.46
IP(EA), eV:	-8.6(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-6-(6-oxaspiro[4.5]decan-9-ylamino)hexanoic acid

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)O)CCNC1CCOC2(C1)CCSC2

DOS

IR

Vibrations