Geometry & MOs

Info

ID:	432704
PubChem CID:	135172840
Reduced:	O4C21H27 (2)
Stoich.:	A4B21C27 (2)
Weight, g/mol:	479.232125
ΔH_f, kcal/mol:	-327.68
Dipole, Da:	0.65
IP(EA), eV:	-8.95(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-[methyl(quinolin-6-yl)amino]acetyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)CC

DOS

IR

Vibrations