Geometry & MOs

Info

ID:	68020
PubChem CID:	46507615
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	-43.7
Dipole, Da:	2.81
IP(EA), eV:	-8.69(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-10-yl)-N-(3-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C\2CC3=CC=CC=C3O/C2=N\O

DOS

IR

Vibrations