Geometry & MOs

Info

ID:	165620
PubChem CID:	74576600
Reduced:	O2N4C29H34 (1)
Stoich.:	A2B4C29D34 (1)
Weight, g/mol:	421.294057
ΔH_f, kcal/mol:	45.65
Dipole, Da:	4.09
IP(EA), eV:	-8.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[2-(2-carbamoylpyrrolidin-1-yl)ethyl]-1-(cyclohexanecarbonyl)piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)C2C[NH+]3CCC2CC3C[NH+](CC4=CC=CO4)CC5=CC=CO5)C6=CC=CC=C6

DOS

IR

Vibrations