Geometry & MOs

Info

ID:	222775
PubChem CID:	85332444
Reduced:	O3N4C32H36 (1)
Stoich.:	A3B4C32D36 (1)
Weight, g/mol:	524.315127
ΔH_f, kcal/mol:	-20.25
Dipole, Da:	5.26
IP(EA), eV:	-8.3(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-N-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-(2-phenylethylamino)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C(CC2=CN(C3=CC=CC=C32)CO)(CN(C)C)NCC4=CC5=CC=CC=C5O4

DOS

IR

Vibrations