Geometry & MOs

Info

ID:	340980
PubChem CID:	127263415
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-25.74
Dipole, Da:	4.54
IP(EA), eV:	-10.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-N,N-dimethyl-2,7-diazaspiro[3.4]octane-5-carboxamide

Drug info:

PubChemData

Smile

COC(CCC#N)C1=CC=CC(=C1)C=O

DOS

IR

Vibrations