Geometry & MOs

Info

ID:	178918
PubChem CID:	76400854
Reduced:	NOC4H4 (4)
Stoich.:	ABC4D4 (4)
Weight, g/mol:	520.316189
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	1.56
IP(EA), eV:	-9.93(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxo-8-piperazin-1-yl-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6(11),7,9-trien-17-yl)-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1C2C(CN1C(=O)C3=CC=NO3)OCC(=O)N2CC4=CC=CC=N4

DOS

IR

Vibrations