Geometry & MOs

Info

ID:	16354
PubChem CID:	465238
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-15.88
Dipole, Da:	4.0
IP(EA), eV:	-8.48(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-ethyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one

Drug info:

PubChemData

Smile

CCC1CN2C3=C(CN1)C=CC=C3NC2=O

DOS

IR

Vibrations