Geometry & MOs

Info

ID:	149585
PubChem CID:	53789259
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	495.284555
ΔH_f, kcal/mol:	30.06
Dipole, Da:	3.35
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-dihydroxy-4,7-dihydroisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] N-cyclohexylcarbamate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C=CCCC#CC=CC1=CC=CC=C1

DOS

IR

Vibrations