Geometry & MOs

Info

ID:	358998
PubChem CID:	127297190
Reduced:	O3N4C21H36 (1)
Stoich.:	A3B4C21D36 (1)
Weight, g/mol:	363.19582
ΔH_f, kcal/mol:	-173.78
Dipole, Da:	4.27
IP(EA), eV:	-9.24(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[2-[4-(oxane-4-carbonyl)piperazin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC(=O)CN2CCN(CC2)C(=O)C3CCCN(C3)C(=O)C

DOS

IR

Vibrations