Geometry & MOs

Info

ID:	439173
PubChem CID:	135228938
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	396.241293
ΔH_f, kcal/mol:	-112.62
Dipole, Da:	3.94
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl 2-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(N1CCC(CC1)[C@H](C[C@@H]2C3=CC=CC=C3C4=CN=CN24)O)O

DOS

IR

Vibrations