Geometry & MOs

Info

ID:	349002
PubChem CID:	127274728
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	349.272927
ΔH_f, kcal/mol:	-76.98
Dipole, Da:	2.81
IP(EA), eV:	-8.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN(CC1)C2CCCC2)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations