Geometry & MOs

Info

ID:	432559
PubChem CID:	135172692
Reduced:	ClO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	506.231791
ΔH_f, kcal/mol:	-15.85
Dipole, Da:	4.97
IP(EA), eV:	-8.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9H-carbazol-3-yloxy)-1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations