Geometry & MOs

Info

ID:	353705
PubChem CID:	127285282
Reduced:	F2O2N3C21H29 (1)
Stoich.:	A2B2C3D21E29 (1)
Weight, g/mol:	351.175833
ΔH_f, kcal/mol:	-181.26
Dipole, Da:	2.27
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC(=O)NC1CCCN(C1)C(=O)CN(CC2=C(C=CC=C2F)F)C3CCCC3

DOS

IR

Vibrations