Geometry & MOs

Info

ID:	363490
PubChem CID:	127311293
Reduced:	O3N6C17H18 (1)
Stoich.:	A3B6C17D18 (1)
Weight, g/mol:	399.232205
ΔH_f, kcal/mol:	-8.46
Dipole, Da:	4.56
IP(EA), eV:	-8.71(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CN=C4C=CC=CN4C3=O

DOS

IR

Vibrations