Geometry & MOs

Info

ID:	439035
PubChem CID:	135228798
Reduced:	ON2C35H48 (1)
Stoich.:	AB2C35D48 (1)
Weight, g/mol:	384.277678
ΔH_f, kcal/mol:	-22.79
Dipole, Da:	8.31
IP(EA), eV:	-8.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-(5,9b-dihydro-1H-imidazo[1,5-b]isoindol-5-yl)-1-cyclohexylethoxy]-2,3-dimethylbutan-1-ol

Drug info:

PubChemData

Smile

CCCC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)CC)/C(=C/C)/C=C\C(=C)NC(C)(C)C)C(C)(C)C

DOS

IR

Vibrations