Geometry & MOs

Info

ID:	197895
PubChem CID:	79012462
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	-166.87
Dipole, Da:	6.61
IP(EA), eV:	-9.1(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1=CC(=C(C=C1)O)C(=O)O)N

DOS

IR

Vibrations