Geometry & MOs

Info

ID:	432829
PubChem CID:	135172966
Reduced:	ON9H23C30 (1)
Stoich.:	AB9C23D30 (1)
Weight, g/mol:	444.252526
ΔH_f, kcal/mol:	207.45
Dipole, Da:	4.3
IP(EA), eV:	-8.88(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-ethylanilino)-1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/N=C6C=NC=C(C6=N5)C7=CN=CC=C7)/NN4)O

DOS

IR

Vibrations