Geometry & MOs

Info

ID:	432690
PubChem CID:	135172826
Reduced:	O3N4H26C27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	496.208611
ΔH_f, kcal/mol:	-11.81
Dipole, Da:	6.94
IP(EA), eV:	-8.52(-0.66)
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-[N-methyl-3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)CC2C3=CC=CC=C3C4=CN=CN24)C(=O)COC5=CC6=C(C=C5)NC=C6

DOS

IR

Vibrations