Geometry & MOs

Info

ID:	168808
PubChem CID:	75021005
Reduced:	ON5C25H31 (1)
Stoich.:	AB5C25D31 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	31.33
Dipole, Da:	9.32
IP(EA), eV:	-8.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]pyrrolidin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(CC1=NC2=CC=CC=C2N1)NCC(C3CCCN3CC4=CC(=CC=C4)C#N)O

DOS

IR

Vibrations