Geometry & MOs

Info

ID:	364886
PubChem CID:	127316394
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	343.192963
ΔH_f, kcal/mol:	40.93
Dipole, Da:	3.97
IP(EA), eV:	-8.53(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-(1-ethylsulfonylpiperidin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4CCC4)CCC#N)C

DOS

IR

Vibrations