Geometry & MOs

Info

ID:	194345
PubChem CID:	78519627
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	4.5
IP(EA), eV:	-8.5(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations