Geometry & MOs

Info

ID:	439184
PubChem CID:	135228949
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-10.78
Dipole, Da:	6.13
IP(EA), eV:	-9.07(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[1-amino-4-(2,3-dihydro-1H-indol-5-yloxy)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CC2[C@@H]3C=CC=CC3C4=CN=CN24)O

DOS

IR

Vibrations