Geometry & MOs

Info

ID:	439211
PubChem CID:	135228977
Reduced:	NC23H35 (1)
Stoich.:	AB23C35 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	7.93
Dipole, Da:	0.96
IP(EA), eV:	-9.0(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(5,9b-dihydro-1H-imidazo[1,5-b]isoindol-5-yl)-1-hydroxyethyl]azetidin-1-yl]nonan-1-one

Drug info:

PubChemData

Smile

CCCC(CCC)C(=C)CC(C)C1=CC=CC=C1/C(=C/N=CC)/C

DOS

IR

Vibrations