Geometry & MOs

Info

ID:	357998
PubChem CID:	127295512
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	397.239913
ΔH_f, kcal/mol:	2.99
Dipole, Da:	6.79
IP(EA), eV:	-8.57(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)CN3CCC(C3)N4CCCCC4

DOS

IR

Vibrations