Geometry & MOs

Info

ID:	236967
PubChem CID:	92716476
Reduced:	N2H18C19 (1)
Stoich.:	A2B18C19 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	73.66
Dipole, Da:	2.11
IP(EA), eV:	-8.75(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (10R)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]2C3=CC=CN3C4=CC=CC=C4CN2

DOS

IR

Vibrations