Geometry & MOs

Info

ID:	353051
PubChem CID:	127284201
Reduced:	ON2C9H17 (2)
Stoich.:	AB2C9D17 (2)
Weight, g/mol:	375.232205
ΔH_f, kcal/mol:	-122.31
Dipole, Da:	4.29
IP(EA), eV:	-8.85(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCCN1CCN(CC1)C(=O)C)N2CCCCC2

DOS

IR

Vibrations