Geometry & MOs

Info

ID:	178919
PubChem CID:	76401206
Reduced:	O3N6C29H40 (1)
Stoich.:	A3B6C29D40 (1)
Weight, g/mol:	520.316189
ΔH_f, kcal/mol:	-73.51
Dipole, Da:	5.08
IP(EA), eV:	-8.26(-0.03)
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-4-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CC2CN(CCC2CC(=O)NCC3=CN=CC=C3)C(=O)CNCC4=C(C=CC(=C4)N5CCNCC5)OC1

DOS

IR

Vibrations