Geometry & MOs

Info

ID:	180859
PubChem CID:	76695116
Reduced:	IrN3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	385.238372
ΔH_f, kcal/mol:	283.02
Dipole, Da:	29.3
IP(EA), eV:	-9.65(-7.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-chloro-1-[4-(1-ethylcyclobutyl)-4-hydroxybutyl]pyrrolidin-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C([C-]=C1)C2=CC=CC=N2)C#N.[Ir]

DOS

IR

Vibrations