Geometry & MOs

Info

ID:	433412
PubChem CID:	135173549
Reduced:	NO2C19H31 (1)
Stoich.:	AB2C19D31 (1)
Weight, g/mol:	723.316917
ΔH_f, kcal/mol:	-101.07
Dipole, Da:	1.99
IP(EA), eV:	-8.6(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-dioxo-4-[4-[4-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]butoxy]isoindol-2-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCNCCCCCOC1=CC(=CC=C1)OC2CCCCC2

DOS

IR

Vibrations