Geometry & MOs

Info

ID:	365438
PubChem CID:	127317837
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	2.81
Dipole, Da:	4.72
IP(EA), eV:	-8.62(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-4-cyclobutylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCC3=C(N(N=C3C)C4=CC=CC=C4)C

DOS

IR

Vibrations