Geometry & MOs

Info

ID:	216223
PubChem CID:	85085913
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	243.147058
ΔH_f, kcal/mol:	-12.81
Dipole, Da:	4.05
IP(EA), eV:	-9.56(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methoxy-4,4-dimethyl-3,5,13-trioxa-8-azatricyclo[7.4.0.02,6]tridecane

Drug info:

PubChemData

Smile

C1C(N(C1=O)C(=O)C(CC2=CC=CC=C2)N)C#N

DOS

IR

Vibrations