Geometry & MOs

Info

ID:	353049
PubChem CID:	127284199
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	390.243104
ΔH_f, kcal/mol:	-99.73
Dipole, Da:	4.38
IP(EA), eV:	-8.87(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)ethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(CCCCC2)C(=O)NCCN3CCN(CC3)C(=O)C

DOS

IR

Vibrations