Geometry & MOs

Info

ID:	341071
PubChem CID:	127263506
Reduced:	O4N5C27H33 (1)
Stoich.:	A4B5C27D33 (1)
Weight, g/mol:	410.238955
ΔH_f, kcal/mol:	-117.43
Dipole, Da:	2.24
IP(EA), eV:	-8.94(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C(C1)O)CNC2=NC=NC(=C2C3=CC=C(C=C3)OC4=CC=CC=C4)N

DOS

IR

Vibrations