Geometry & MOs

Info

ID:	432819
PubChem CID:	135172956
Reduced:	ON9H23C27 (1)
Stoich.:	AB9C23D27 (1)
Weight, g/mol:	462.182254
ΔH_f, kcal/mol:	188.17
Dipole, Da:	3.77
IP(EA), eV:	-8.85(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(3-chloro-N-methylanilino)acetyl]piperidin-4-yl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

Drug info:

PubChemData

Smile

C1CC(C1)C(NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/N=C6C=NC=C(C6=N5)C7=CC=CC=N7)/NN4)O

DOS

IR

Vibrations